6-[5-(acetamidomethyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide

C17H19N5O2 — CID 86305806

IUPAC6-[5-(acetamidomethyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
SMILESCC(=O)NCc1cncc(-c2cnc3c(c2)CCCN3C(N)=O)c1
InChIInChI=1S/C17H19N5O2/c1-11(23)20-8-12-5-14(9-19-7-12)15-6-13-3-2-4-22(17(18)24)16(13)21-10-15/h5-7,9-10H,2-4,8H2,1H3,(H2,18,24)(H,20,23)
InChIKeyBDLOUMGGTXKYRP-UHFFFAOYSA-N
MW325.37 g/mol
LogP1.61
Rot. Bonds3

About 6-[5-(acetamidomethyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide

6-[5-(acetamidomethyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (PubChem CID 86305806) has the molecular formula C17H19N5O2 and a molecular weight of 325.37 g/mol. Its IUPAC name is 6-[5-(acetamidomethyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.

Molecular Properties

Compound Name6-[5-(acetamidomethyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
PubChem CID86305806
Molecular FormulaC17H19N5O2
Molecular Weight325.37 g/mol
Exact Mass325.15
IUPAC Name6-[5-(acetamidomethyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
SMILESCC(=O)NCc1cncc(-c2cnc3c(c2)CCCN3C(N)=O)c1
InChIInChI=1S/C17H19N5O2/c1-11(23)20-8-12-5-14(9-19-7-12)15-6-13-3-2-4-22(17(18)24)16(13)21-10-15/h5-7,9-10H,2-4,8H2,1H3,(H2,18,24)(H,20,23)
InChIKeyBDLOUMGGTXKYRP-UHFFFAOYSA-N
XLogP1.61
TPSA101.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[5-(acetamidomethyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The IUPAC name of 6-[5-(acetamidomethyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (CID 86305806) is 6-[5-(acetamidomethyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.
What is the SMILES notation for 6-[5-(acetamidomethyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The canonical SMILES for 6-[5-(acetamidomethyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is CC(=O)NCc1cncc(-c2cnc3c(c2)CCCN3C(N)=O)c1.
What is the InChIKey of 6-[5-(acetamidomethyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The InChIKey is BDLOUMGGTXKYRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O2/c1-11(23)20-8-12-5-14(9-19-7-12)15-6-13-3-2-4-22(17(18)24)16(13)21-10-15/h5-7,9-10H,2-4,8H2,1H3,(H2,18,24)(H,20,23).
What are the key properties of 6-[5-(acetamidomethyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
6-[5-(acetamidomethyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide has a molecular weight of 325.37 g/mol, XLogP of 1.61, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-(acetamidomethyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is sourced from PubChem (CID 86305806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).