N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]-4-pyrrolidin-1-ylbenzamide

C21H26N4O — CID 56886955

IUPACN-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]-4-pyrrolidin-1-ylbenzamide
SMILESCc1ncc2c(c1CNC(=O)c1ccc(N3CCCC3)cc1)CCNC2
InChIInChI=1S/C21H26N4O/c1-15-20(19-8-9-22-12-17(19)13-23-15)14-24-21(26)16-4-6-18(7-5-16)25-10-2-3-11-25/h4-7,13,22H,2-3,8-12,14H2,1H3,(H,24,26)
InChIKeyBNSAESHRLGNICY-UHFFFAOYSA-N
MW350.47 g/mol
LogP2.57
Rot. Bonds4

About N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]-4-pyrrolidin-1-ylbenzamide

N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]-4-pyrrolidin-1-ylbenzamide (PubChem CID 56886955) has the molecular formula C21H26N4O and a molecular weight of 350.47 g/mol. Its IUPAC name is N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]-4-pyrrolidin-1-ylbenzamide.

Molecular Properties

Compound NameN-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]-4-pyrrolidin-1-ylbenzamide
PubChem CID56886955
Molecular FormulaC21H26N4O
Molecular Weight350.47 g/mol
Exact Mass350.21
IUPAC NameN-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]-4-pyrrolidin-1-ylbenzamide
SMILESCc1ncc2c(c1CNC(=O)c1ccc(N3CCCC3)cc1)CCNC2
InChIInChI=1S/C21H26N4O/c1-15-20(19-8-9-22-12-17(19)13-23-15)14-24-21(26)16-4-6-18(7-5-16)25-10-2-3-11-25/h4-7,13,22H,2-3,8-12,14H2,1H3,(H,24,26)
InChIKeyBNSAESHRLGNICY-UHFFFAOYSA-N
XLogP2.57
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.47
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]pyridine-4-carboxamide
CID 56897206
N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]-3-morpholin-4-ylbenzamide
CID 56882113
4-(2-hydroxyethylsulfanyl)-N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]benzamide
CID 56883318
N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine-3-carboxamide
CID 56900452
N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]-3-(2-oxoimidazolidin-1-yl)benzamide
CID 56895753
N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]-3-pyrazol-1-ylbenzamide
CID 56884755
2-[(2R)-1-methylpiperidin-2-yl]-N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]acetamide
CID 95880804
2-[(2S)-1-methylpiperidin-2-yl]-N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]acetamide
CID 95880803
N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]-1,3-benzothiazole-6-carboxamide;dihydrochloride
CID 154893164
3-(4-hydroxyphenyl)-N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]benzamide
CID 56886039
N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]oxane-4-carboxamide
CID 118759038
N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]-4-oxo-3H-phthalazine-1-carboxamide
CID 56881694

Frequently Asked Questions

What is the IUPAC name of N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]-4-pyrrolidin-1-ylbenzamide?
The IUPAC name of N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]-4-pyrrolidin-1-ylbenzamide (CID 56886955) is N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]-4-pyrrolidin-1-ylbenzamide.
What is the SMILES notation for N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]-4-pyrrolidin-1-ylbenzamide?
The canonical SMILES for N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]-4-pyrrolidin-1-ylbenzamide is Cc1ncc2c(c1CNC(=O)c1ccc(N3CCCC3)cc1)CCNC2.
What is the InChIKey of N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]-4-pyrrolidin-1-ylbenzamide?
The InChIKey is BNSAESHRLGNICY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O/c1-15-20(19-8-9-22-12-17(19)13-23-15)14-24-21(26)16-4-6-18(7-5-16)25-10-2-3-11-25/h4-7,13,22H,2-3,8-12,14H2,1H3,(H,24,26).
What are the key properties of N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]-4-pyrrolidin-1-ylbenzamide?
N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]-4-pyrrolidin-1-ylbenzamide has a molecular weight of 350.47 g/mol, XLogP of 2.57, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]-4-pyrrolidin-1-ylbenzamide is sourced from PubChem (CID 56886955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).