2-amino-7-chloro-5-methyl-6-(pyridin-4-ylmethyl)-1,8-naphthyridine-3-carboxamide

C16H14ClN5O — CID 71449774

IUPAC2-amino-7-chloro-5-methyl-6-(pyridin-4-ylmethyl)-1,8-naphthyridine-3-carboxamide
SMILESCc1c(Cc2ccncc2)c(Cl)nc2nc(N)c(C(N)=O)cc12
InChIInChI=1S/C16H14ClN5O/c1-8-10(6-9-2-4-20-5-3-9)13(17)21-16-11(8)7-12(15(19)23)14(18)22-16/h2-5,7H,6H2,1H3,(H2,19,23)(H2,18,21,22)
InChIKeyDNPFMSQGBACHCZ-UHFFFAOYSA-N
MW327.78 g/mol
LogP2.26
Rot. Bonds3

About 2-amino-7-chloro-5-methyl-6-(pyridin-4-ylmethyl)-1,8-naphthyridine-3-carboxamide

2-amino-7-chloro-5-methyl-6-(pyridin-4-ylmethyl)-1,8-naphthyridine-3-carboxamide (PubChem CID 71449774) has the molecular formula C16H14ClN5O and a molecular weight of 327.78 g/mol. Its IUPAC name is 2-amino-7-chloro-5-methyl-6-(pyridin-4-ylmethyl)-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name2-amino-7-chloro-5-methyl-6-(pyridin-4-ylmethyl)-1,8-naphthyridine-3-carboxamide
PubChem CID71449774
Molecular FormulaC16H14ClN5O
Molecular Weight327.78 g/mol
Exact Mass327.09
IUPAC Name2-amino-7-chloro-5-methyl-6-(pyridin-4-ylmethyl)-1,8-naphthyridine-3-carboxamide
SMILESCc1c(Cc2ccncc2)c(Cl)nc2nc(N)c(C(N)=O)cc12
InChIInChI=1S/C16H14ClN5O/c1-8-10(6-9-2-4-20-5-3-9)13(17)21-16-11(8)7-12(15(19)23)14(18)22-16/h2-5,7H,6H2,1H3,(H2,19,23)(H2,18,21,22)
InChIKeyDNPFMSQGBACHCZ-UHFFFAOYSA-N
XLogP2.26
TPSA107.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.78
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-7-chloro-5-methyl-6-(pyridin-4-ylmethyl)-1,8-naphthyridine-3-carboxamide?
The IUPAC name of 2-amino-7-chloro-5-methyl-6-(pyridin-4-ylmethyl)-1,8-naphthyridine-3-carboxamide (CID 71449774) is 2-amino-7-chloro-5-methyl-6-(pyridin-4-ylmethyl)-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for 2-amino-7-chloro-5-methyl-6-(pyridin-4-ylmethyl)-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for 2-amino-7-chloro-5-methyl-6-(pyridin-4-ylmethyl)-1,8-naphthyridine-3-carboxamide is Cc1c(Cc2ccncc2)c(Cl)nc2nc(N)c(C(N)=O)cc12.
What is the InChIKey of 2-amino-7-chloro-5-methyl-6-(pyridin-4-ylmethyl)-1,8-naphthyridine-3-carboxamide?
The InChIKey is DNPFMSQGBACHCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN5O/c1-8-10(6-9-2-4-20-5-3-9)13(17)21-16-11(8)7-12(15(19)23)14(18)22-16/h2-5,7H,6H2,1H3,(H2,19,23)(H2,18,21,22).
What are the key properties of 2-amino-7-chloro-5-methyl-6-(pyridin-4-ylmethyl)-1,8-naphthyridine-3-carboxamide?
2-amino-7-chloro-5-methyl-6-(pyridin-4-ylmethyl)-1,8-naphthyridine-3-carboxamide has a molecular weight of 327.78 g/mol, XLogP of 2.26, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-7-chloro-5-methyl-6-(pyridin-4-ylmethyl)-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 71449774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).