(7R)-N-[(3R)-7-(3-azabicyclo[3.2.1]octan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-7-methyl-5,6,7,8-tetrahydro-1,8-naphthyridine-3-carboxamide

C26H32N4O2 — CID 167600228

IUPAC(7R)-N-[(3R)-7-(3-azabicyclo[3.2.1]octan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-7-methyl-5,6,7,8-tetrahydro-1,8-naphthyridine-3-carboxamide
SMILESC[C@@H]1CCc2cc(C(=O)N[C@H]3COc4cc(N5CC6CCC(C6)C5)ccc4C3)cnc2N1
InChIInChI=1S/C26H32N4O2/c1-16-2-5-20-9-21(12-27-25(20)28-16)26(31)29-22-10-19-6-7-23(11-24(19)32-15-22)30-13-17-3-4-18(8-17)14-30/h6-7,9,11-12,16-18,22H,2-5,8,10,13-15H2,1H3,(H,27,28)(H,29,31)/t16-,17?,18?,22-/m1/s1
InChIKeyXTGFYAXABTWZFO-UXHQMKPLSA-N
MW432.57 g/mol
LogP3.80
Rot. Bonds3

About (7R)-N-[(3R)-7-(3-azabicyclo[3.2.1]octan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-7-methyl-5,6,7,8-tetrahydro-1,8-naphthyridine-3-carboxamide

(7R)-N-[(3R)-7-(3-azabicyclo[3.2.1]octan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-7-methyl-5,6,7,8-tetrahydro-1,8-naphthyridine-3-carboxamide (PubChem CID 167600228) has the molecular formula C26H32N4O2 and a molecular weight of 432.57 g/mol. Its IUPAC name is (7R)-N-[(3R)-7-(3-azabicyclo[3.2.1]octan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-7-methyl-5,6,7,8-tetrahydro-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name(7R)-N-[(3R)-7-(3-azabicyclo[3.2.1]octan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-7-methyl-5,6,7,8-tetrahydro-1,8-naphthyridine-3-carboxamide
PubChem CID167600228
Molecular FormulaC26H32N4O2
Molecular Weight432.57 g/mol
Exact Mass432.25
IUPAC Name(7R)-N-[(3R)-7-(3-azabicyclo[3.2.1]octan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-7-methyl-5,6,7,8-tetrahydro-1,8-naphthyridine-3-carboxamide
SMILESC[C@@H]1CCc2cc(C(=O)N[C@H]3COc4cc(N5CC6CCC(C6)C5)ccc4C3)cnc2N1
InChIInChI=1S/C26H32N4O2/c1-16-2-5-20-9-21(12-27-25(20)28-16)26(31)29-22-10-19-6-7-23(11-24(19)32-15-22)30-13-17-3-4-18(8-17)14-30/h6-7,9,11-12,16-18,22H,2-5,8,10,13-15H2,1H3,(H,27,28)(H,29,31)/t16-,17?,18?,22-/m1/s1
InChIKeyXTGFYAXABTWZFO-UXHQMKPLSA-N
XLogP3.80
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.57
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N-[(3R)-7-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide
CID 137488714
7-amino-N-[(3R)-7-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-3-fluorothieno[2,3-b]pyrazine-6-carboxamide
CID 167225744
3-amino-N-[(3R)-7-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-6-fluorothieno[2,3-b]pyridine-2-carboxamide
CID 137488609
N-[7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-3-methyl-7-(methylamino)thieno[2,3-b]pyrazine-6-carboxamide
CID 164809932
3-amino-N-[(3R)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-6-methylfuro[2,3-b]pyridine-2-carboxamide
CID 172540507
3-amino-N-[(3R)-7-[(3S,4S)-3-amino-4-cyclopropyloxypyrrolidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide
CID 166493044
3-amino-N-[(3R)-7-[(3S,4S)-3-amino-4-cyclobutyloxypyrrolidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide
CID 166492950
N-[(3R)-7-[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl]-3,4-dihydro-2H-chromen-3-yl]-3-amino-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;N-[(3R)-7-[(3aR,6aR)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl]-3,4-dihydro-2H-chromen-3-yl]-3-amino-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;(1aR,7bS)-N-[(3R)-7-(3-azabicyclo[3.2.1]octan-3-yl)-8-cyano-5-fluoro-3,4-dihydro-2H-chromen-3-yl]-1a,2,3,7b-tetrahydro-1H-cyclopropa[f]quinoline-6-carboxamide;(1aS,7bR)-N-[(3R)-7-(3-azabicyclo[3.2.1]octan-3-yl)-8-cyano-5-fluoro-3,4-dihydro-2H-chromen-3-yl]-1a,2,3,7b-tetrahydro-1H-cyclopropa[f]quinoline-6-carboxamide
CID 167711406
3-amino-N-[(3R)-7-[(3R)-3-amino-4-(difluoromethyl)pyrrolidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide
CID 167224719
3-amino-N-[(3R)-7-(9,9-difluoro-3,7-diazabicyclo[3.3.1]nonan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-6-methyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 166493063
N-[(2R)-6-(3-azabicyclo[3.2.1]octan-3-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]-7-ethylpyrrolo[2,3-c]pyridazine-3-carboxamide
CID 167673386
3-amino-N-[(3R)-7-[(3S,4S)-3-amino-4-methoxypiperidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
CID 166492981

Frequently Asked Questions

What is the IUPAC name of (7R)-N-[(3R)-7-(3-azabicyclo[3.2.1]octan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-7-methyl-5,6,7,8-tetrahydro-1,8-naphthyridine-3-carboxamide?
The IUPAC name of (7R)-N-[(3R)-7-(3-azabicyclo[3.2.1]octan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-7-methyl-5,6,7,8-tetrahydro-1,8-naphthyridine-3-carboxamide (CID 167600228) is (7R)-N-[(3R)-7-(3-azabicyclo[3.2.1]octan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-7-methyl-5,6,7,8-tetrahydro-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for (7R)-N-[(3R)-7-(3-azabicyclo[3.2.1]octan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-7-methyl-5,6,7,8-tetrahydro-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for (7R)-N-[(3R)-7-(3-azabicyclo[3.2.1]octan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-7-methyl-5,6,7,8-tetrahydro-1,8-naphthyridine-3-carboxamide is C[C@@H]1CCc2cc(C(=O)N[C@H]3COc4cc(N5CC6CCC(C6)C5)ccc4C3)cnc2N1.
What is the InChIKey of (7R)-N-[(3R)-7-(3-azabicyclo[3.2.1]octan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-7-methyl-5,6,7,8-tetrahydro-1,8-naphthyridine-3-carboxamide?
The InChIKey is XTGFYAXABTWZFO-UXHQMKPLSA-N. The full InChI is InChI=1S/C26H32N4O2/c1-16-2-5-20-9-21(12-27-25(20)28-16)26(31)29-22-10-19-6-7-23(11-24(19)32-15-22)30-13-17-3-4-18(8-17)14-30/h6-7,9,11-12,16-18,22H,2-5,8,10,13-15H2,1H3,(H,27,28)(H,29,31)/t16-,17?,18?,22-/m1/s1.
What are the key properties of (7R)-N-[(3R)-7-(3-azabicyclo[3.2.1]octan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-7-methyl-5,6,7,8-tetrahydro-1,8-naphthyridine-3-carboxamide?
(7R)-N-[(3R)-7-(3-azabicyclo[3.2.1]octan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-7-methyl-5,6,7,8-tetrahydro-1,8-naphthyridine-3-carboxamide has a molecular weight of 432.57 g/mol, XLogP of 3.80, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-N-[(3R)-7-(3-azabicyclo[3.2.1]octan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-7-methyl-5,6,7,8-tetrahydro-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 167600228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).