N-[4-[(3R,4R,5S)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]-3-pyridinyl]-7-morpholin-4-yl-1,5-naphthyridine-2-carboxamide

C24H29N7O3 — CID 118646834

IUPACN-[4-[(3R,4R,5S)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]-3-pyridinyl]-7-morpholin-4-yl-1,5-naphthyridine-2-carboxamide
SMILESC[C@H]1CN(c2ccncc2NC(=O)c2ccc3ncc(N4CCOCC4)cc3n2)C[C@@H](N)[C@@H]1O
InChIInChI=1S/C24H29N7O3/c1-15-13-31(14-17(25)23(15)32)22-4-5-26-12-21(22)29-24(33)19-3-2-18-20(28-19)10-16(11-27-18)30-6-8-34-9-7-30/h2-5,10-12,15,17,23,32H,6-9,13-14,25H2,1H3,(H,29,33)/t15-,17+,23+/m0/s1
InChIKeySSNIKHVUFVVWIH-XSSDXNQZSA-N
MW463.54 g/mol
LogP1.26
Rot. Bonds4

About N-[4-[(3R,4R,5S)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]-3-pyridinyl]-7-morpholin-4-yl-1,5-naphthyridine-2-carboxamide

N-[4-[(3R,4R,5S)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]-3-pyridinyl]-7-morpholin-4-yl-1,5-naphthyridine-2-carboxamide (PubChem CID 118646834) has the molecular formula C24H29N7O3 and a molecular weight of 463.54 g/mol. Its IUPAC name is N-[4-[(3R,4R,5S)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]-3-pyridinyl]-7-morpholin-4-yl-1,5-naphthyridine-2-carboxamide.

Molecular Properties

Compound NameN-[4-[(3R,4R,5S)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]-3-pyridinyl]-7-morpholin-4-yl-1,5-naphthyridine-2-carboxamide
PubChem CID118646834
Molecular FormulaC24H29N7O3
Molecular Weight463.54 g/mol
Exact Mass463.23
IUPAC NameN-[4-[(3R,4R,5S)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]-3-pyridinyl]-7-morpholin-4-yl-1,5-naphthyridine-2-carboxamide
SMILESC[C@H]1CN(c2ccncc2NC(=O)c2ccc3ncc(N4CCOCC4)cc3n2)C[C@@H](N)[C@@H]1O
InChIInChI=1S/C24H29N7O3/c1-15-13-31(14-17(25)23(15)32)22-4-5-26-12-21(22)29-24(33)19-3-2-18-20(28-19)10-16(11-27-18)30-6-8-34-9-7-30/h2-5,10-12,15,17,23,32H,6-9,13-14,25H2,1H3,(H,29,33)/t15-,17+,23+/m0/s1
InChIKeySSNIKHVUFVVWIH-XSSDXNQZSA-N
XLogP1.26
TPSA129.73 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.54
LogP ≤ 51.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Related Compounds

N-{4-[(3r,4r,5s)-3-Amino-4-Hydroxy-5-Methylpiperidin-1-Yl]pyridin-3-Yl}-6-(2,6-Difluorophenyl)-5-Fluoropyridine-2-Carboxamide
CID 46179018
N-[4-[(3R,4R,5S)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]-3-pyridinyl]-5-fluoro-6-(3-fluoro-4-pyridinyl)pyridine-2-carboxamide
CID 46178533
N-[4-[(3R,4R,5S)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]-3-pyridinyl]-6-(2,6-difluoro-3-methylphenyl)pyridine-2-carboxamide
CID 46179102
N-[4-[(3R,4R,5S)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]-3-pyridinyl]-6-cyclohexyl-5-fluoropyridine-2-carboxamide
CID 46179191
N-[4-[(3R,4R,5S)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]-3-pyridinyl]-6-(2,6-difluoro-3-methylphenyl)-5-fluoropyridine-2-carboxamide
CID 46179192
N-[4-[(3R,4R,5S)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]-3-pyridinyl]-6-(2,6-difluorophenyl)pyridine-2-carboxamide
CID 59226421
N-[4-[(3R,4R,5S)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]-3-pyridinyl]-6-(2,6-difluorophenyl)-3-fluoropyridine-2-carboxamide
CID 59226458
N-[4-[(3R,4R,5S)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]-3-pyridinyl]-5-fluoro-6-(2-fluorophenyl)pyridine-2-carboxamide
CID 59226517
US9580418, Example 11
CID 118646830
N-[(2R)-2,3-dihydroxypropyl]-4-(2-fluoroanilino)-6-methyl-1,7-naphthyridine-2-carboxamide
CID 168288980
[(3R,4R,5S)-1-[3-[[6-(2,6-difluorophenyl)-5-fluoropyridine-2-carbonyl]amino]-4-pyridinyl]-4-hydroxy-5-methylpiperidin-3-yl]azanium
CID 78225965
N-[4-[(3R,4R,5S)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]-3-pyridinyl]-5-fluoro-6-pyridin-4-ylpyridine-2-carboxamide
CID 46178610

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3R,4R,5S)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]-3-pyridinyl]-7-morpholin-4-yl-1,5-naphthyridine-2-carboxamide?
The IUPAC name of N-[4-[(3R,4R,5S)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]-3-pyridinyl]-7-morpholin-4-yl-1,5-naphthyridine-2-carboxamide (CID 118646834) is N-[4-[(3R,4R,5S)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]-3-pyridinyl]-7-morpholin-4-yl-1,5-naphthyridine-2-carboxamide.
What is the SMILES notation for N-[4-[(3R,4R,5S)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]-3-pyridinyl]-7-morpholin-4-yl-1,5-naphthyridine-2-carboxamide?
The canonical SMILES for N-[4-[(3R,4R,5S)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]-3-pyridinyl]-7-morpholin-4-yl-1,5-naphthyridine-2-carboxamide is C[C@H]1CN(c2ccncc2NC(=O)c2ccc3ncc(N4CCOCC4)cc3n2)C[C@@H](N)[C@@H]1O.
What is the InChIKey of N-[4-[(3R,4R,5S)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]-3-pyridinyl]-7-morpholin-4-yl-1,5-naphthyridine-2-carboxamide?
The InChIKey is SSNIKHVUFVVWIH-XSSDXNQZSA-N. The full InChI is InChI=1S/C24H29N7O3/c1-15-13-31(14-17(25)23(15)32)22-4-5-26-12-21(22)29-24(33)19-3-2-18-20(28-19)10-16(11-27-18)30-6-8-34-9-7-30/h2-5,10-12,15,17,23,32H,6-9,13-14,25H2,1H3,(H,29,33)/t15-,17+,23+/m0/s1.
What are the key properties of N-[4-[(3R,4R,5S)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]-3-pyridinyl]-7-morpholin-4-yl-1,5-naphthyridine-2-carboxamide?
N-[4-[(3R,4R,5S)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]-3-pyridinyl]-7-morpholin-4-yl-1,5-naphthyridine-2-carboxamide has a molecular weight of 463.54 g/mol, XLogP of 1.26, 4 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3R,4R,5S)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]-3-pyridinyl]-7-morpholin-4-yl-1,5-naphthyridine-2-carboxamide is sourced from PubChem (CID 118646834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).