1-methyl-N-(5,6,7,8-tetrahydro-2,7-naphthyridin-4-ylmethyl)pyrazole-4-carboxamide

C14H17N5O — CID 97463912

IUPAC1-methyl-N-(5,6,7,8-tetrahydro-2,7-naphthyridin-4-ylmethyl)pyrazole-4-carboxamide
SMILESCn1cc(C(=O)NCc2cncc3c2CCNC3)cn1
InChIInChI=1S/C14H17N5O/c1-19-9-12(8-18-19)14(20)17-7-11-6-16-5-10-4-15-3-2-13(10)11/h5-6,8-9,15H,2-4,7H2,1H3,(H,17,20)
InChIKeyTUSRYIIPBOHFOV-UHFFFAOYSA-N
MW271.32 g/mol
LogP0.39
Rot. Bonds3

About 1-methyl-N-(5,6,7,8-tetrahydro-2,7-naphthyridin-4-ylmethyl)pyrazole-4-carboxamide

1-methyl-N-(5,6,7,8-tetrahydro-2,7-naphthyridin-4-ylmethyl)pyrazole-4-carboxamide (PubChem CID 97463912) has the molecular formula C14H17N5O and a molecular weight of 271.32 g/mol. Its IUPAC name is 1-methyl-N-(5,6,7,8-tetrahydro-2,7-naphthyridin-4-ylmethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-methyl-N-(5,6,7,8-tetrahydro-2,7-naphthyridin-4-ylmethyl)pyrazole-4-carboxamide
PubChem CID97463912
Molecular FormulaC14H17N5O
Molecular Weight271.32 g/mol
Exact Mass271.14
IUPAC Name1-methyl-N-(5,6,7,8-tetrahydro-2,7-naphthyridin-4-ylmethyl)pyrazole-4-carboxamide
SMILESCn1cc(C(=O)NCc2cncc3c2CCNC3)cn1
InChIInChI=1S/C14H17N5O/c1-19-9-12(8-18-19)14(20)17-7-11-6-16-5-10-4-15-3-2-13(10)11/h5-6,8-9,15H,2-4,7H2,1H3,(H,17,20)
InChIKeyTUSRYIIPBOHFOV-UHFFFAOYSA-N
XLogP0.39
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(5,6,7,8-tetrahydro-2,7-naphthyridin-4-ylmethyl)pyrazole-4-carboxamide?
The IUPAC name of 1-methyl-N-(5,6,7,8-tetrahydro-2,7-naphthyridin-4-ylmethyl)pyrazole-4-carboxamide (CID 97463912) is 1-methyl-N-(5,6,7,8-tetrahydro-2,7-naphthyridin-4-ylmethyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-methyl-N-(5,6,7,8-tetrahydro-2,7-naphthyridin-4-ylmethyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-methyl-N-(5,6,7,8-tetrahydro-2,7-naphthyridin-4-ylmethyl)pyrazole-4-carboxamide is Cn1cc(C(=O)NCc2cncc3c2CCNC3)cn1.
What is the InChIKey of 1-methyl-N-(5,6,7,8-tetrahydro-2,7-naphthyridin-4-ylmethyl)pyrazole-4-carboxamide?
The InChIKey is TUSRYIIPBOHFOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O/c1-19-9-12(8-18-19)14(20)17-7-11-6-16-5-10-4-15-3-2-13(10)11/h5-6,8-9,15H,2-4,7H2,1H3,(H,17,20).
What are the key properties of 1-methyl-N-(5,6,7,8-tetrahydro-2,7-naphthyridin-4-ylmethyl)pyrazole-4-carboxamide?
1-methyl-N-(5,6,7,8-tetrahydro-2,7-naphthyridin-4-ylmethyl)pyrazole-4-carboxamide has a molecular weight of 271.32 g/mol, XLogP of 0.39, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(5,6,7,8-tetrahydro-2,7-naphthyridin-4-ylmethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 97463912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).