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

C16H18N4O — CID 56897206

IUPACN-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]pyridine-4-carboxamide
SMILESCc1ncc2c(c1CNC(=O)c1ccncc1)CCNC2
InChIInChI=1S/C16H18N4O/c1-11-15(14-4-7-18-8-13(14)9-19-11)10-20-16(21)12-2-5-17-6-3-12/h2-3,5-6,9,18H,4,7-8,10H2,1H3,(H,20,21)
InChIKeyVKJXSMBXYVMICW-UHFFFAOYSA-N
MW282.35 g/mol
LogP1.36
Rot. Bonds3

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

N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]pyridine-4-carboxamide (PubChem CID 56897206) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]pyridine-4-carboxamide
PubChem CID56897206
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC NameN-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]pyridine-4-carboxamide
SMILESCc1ncc2c(c1CNC(=O)c1ccncc1)CCNC2
InChIInChI=1S/C16H18N4O/c1-11-15(14-4-7-18-8-13(14)9-19-11)10-20-16(21)12-2-5-17-6-3-12/h2-3,5-6,9,18H,4,7-8,10H2,1H3,(H,20,21)
InChIKeyVKJXSMBXYVMICW-UHFFFAOYSA-N
XLogP1.36
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]pyridine-4-carboxamide with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]pyridine-4-carboxamide?
The IUPAC name of N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]pyridine-4-carboxamide (CID 56897206) is N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]pyridine-4-carboxamide?
The canonical SMILES for N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]pyridine-4-carboxamide is Cc1ncc2c(c1CNC(=O)c1ccncc1)CCNC2.
What is the InChIKey of N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]pyridine-4-carboxamide?
The InChIKey is VKJXSMBXYVMICW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O/c1-11-15(14-4-7-18-8-13(14)9-19-11)10-20-16(21)12-2-5-17-6-3-12/h2-3,5-6,9,18H,4,7-8,10H2,1H3,(H,20,21).
What are the key properties of N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]pyridine-4-carboxamide?
N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]pyridine-4-carboxamide has a molecular weight of 282.35 g/mol, XLogP of 1.36, 3 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]pyridine-4-carboxamide is sourced from PubChem (CID 56897206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).