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

C21H26N4O — CID 56898601

IUPACN-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]-2-pyrrolidin-3-ylbenzamide
SMILESCc1ncc2c(c1CNC(=O)c1ccccc1C1CCNC1)CCNC2
InChIInChI=1S/C21H26N4O/c1-14-20(18-7-9-23-11-16(18)12-24-14)13-25-21(26)19-5-3-2-4-17(19)15-6-8-22-10-15/h2-5,12,15,22-23H,6-11,13H2,1H3,(H,25,26)
InChIKeyQCMQMSANNXKPAL-UHFFFAOYSA-N
MW350.47 g/mol
LogP2.04
Rot. Bonds4

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

N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]-2-pyrrolidin-3-ylbenzamide (PubChem CID 56898601) 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]-2-pyrrolidin-3-ylbenzamide.

Molecular Properties

Compound NameN-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]-2-pyrrolidin-3-ylbenzamide
PubChem CID56898601
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]-2-pyrrolidin-3-ylbenzamide
SMILESCc1ncc2c(c1CNC(=O)c1ccccc1C1CCNC1)CCNC2
InChIInChI=1S/C21H26N4O/c1-14-20(18-7-9-23-11-16(18)12-24-14)13-25-21(26)19-5-3-2-4-17(19)15-6-8-22-10-15/h2-5,12,15,22-23H,6-11,13H2,1H3,(H,25,26)
InChIKeyQCMQMSANNXKPAL-UHFFFAOYSA-N
XLogP2.04
TPSA66.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.47
LogP ≤ 52.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-methylpyrazin-2-yl)methyl]-2-[(3S)-pyrrolidin-3-yl]benzamide
CID 95726988
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]-2-(3-oxo-1,2-dihydroisoindol-1-yl)acetamide
CID 56915819
N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]-4-oxo-3H-phthalazine-1-carboxamide
CID 56881694
N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 56916353
3-hydroxy-4-methyl-N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]benzamide
CID 56904541
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]-3-pyrazol-1-ylbenzamide
CID 56884755
N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]oxane-4-carboxamide
CID 118759038
3,5-dimethyl-N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]-1,2-oxazole-4-carboxamide
CID 56914454
N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]-4-pyrrolidin-1-ylbenzamide
CID 56886955
N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]-2-pyrrolidin-3-ylbenzamide
CID 56900513

Frequently Asked Questions

What is the IUPAC name of N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]-2-pyrrolidin-3-ylbenzamide?
The IUPAC name of N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]-2-pyrrolidin-3-ylbenzamide (CID 56898601) is N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]-2-pyrrolidin-3-ylbenzamide.
What is the SMILES notation for N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]-2-pyrrolidin-3-ylbenzamide?
The canonical SMILES for N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]-2-pyrrolidin-3-ylbenzamide is Cc1ncc2c(c1CNC(=O)c1ccccc1C1CCNC1)CCNC2.
What is the InChIKey of N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]-2-pyrrolidin-3-ylbenzamide?
The InChIKey is QCMQMSANNXKPAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O/c1-14-20(18-7-9-23-11-16(18)12-24-14)13-25-21(26)19-5-3-2-4-17(19)15-6-8-22-10-15/h2-5,12,15,22-23H,6-11,13H2,1H3,(H,25,26).
What are the key properties of N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]-2-pyrrolidin-3-ylbenzamide?
N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]-2-pyrrolidin-3-ylbenzamide has a molecular weight of 350.47 g/mol, XLogP of 2.04, 4 rotatable bonds, 3 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]-2-pyrrolidin-3-ylbenzamide is sourced from PubChem (CID 56898601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).