1-[2-imino-4-[6-(piperidine-1-carbonyl)-3,4-dihydro-2H-1,8-naphthyridin-1-yl]-1-pyridinyl]-2-methylidenebutan-1-one

C24H29N5O2 — CID 166886748

IUPAC1-[2-imino-4-[6-(piperidine-1-carbonyl)-3,4-dihydro-2H-1,8-naphthyridin-1-yl]-1-pyridinyl]-2-methylidenebutan-1-one
SMILES[H]/N=c1\cc(N2CCCc3cc(C(=O)N4CCCCC4)cnc32)ccn1C(=O)C(=C)CC
InChIInChI=1S/C24H29N5O2/c1-3-17(2)23(30)29-13-9-20(15-21(29)25)28-12-7-8-18-14-19(16-26-22(18)28)24(31)27-10-5-4-6-11-27/h9,13-16,25H,2-8,10-12H2,1H3/b25-21+
InChIKeyQKDQMURGXOMIQJ-NJNXFGOHSA-N
MW419.53 g/mol
LogP3.68
Rot. Bonds4

About 1-[2-imino-4-[6-(piperidine-1-carbonyl)-3,4-dihydro-2H-1,8-naphthyridin-1-yl]-1-pyridinyl]-2-methylidenebutan-1-one

1-[2-imino-4-[6-(piperidine-1-carbonyl)-3,4-dihydro-2H-1,8-naphthyridin-1-yl]-1-pyridinyl]-2-methylidenebutan-1-one (PubChem CID 166886748) has the molecular formula C24H29N5O2 and a molecular weight of 419.53 g/mol. Its IUPAC name is 1-[2-imino-4-[6-(piperidine-1-carbonyl)-3,4-dihydro-2H-1,8-naphthyridin-1-yl]-1-pyridinyl]-2-methylidenebutan-1-one.

Molecular Properties

Compound Name1-[2-imino-4-[6-(piperidine-1-carbonyl)-3,4-dihydro-2H-1,8-naphthyridin-1-yl]-1-pyridinyl]-2-methylidenebutan-1-one
PubChem CID166886748
Molecular FormulaC24H29N5O2
Molecular Weight419.53 g/mol
Exact Mass419.23
IUPAC Name1-[2-imino-4-[6-(piperidine-1-carbonyl)-3,4-dihydro-2H-1,8-naphthyridin-1-yl]-1-pyridinyl]-2-methylidenebutan-1-one
SMILES[H]/N=c1\cc(N2CCCc3cc(C(=O)N4CCCCC4)cnc32)ccn1C(=O)C(=C)CC
InChIInChI=1S/C24H29N5O2/c1-3-17(2)23(30)29-13-9-20(15-21(29)25)28-12-7-8-18-14-19(16-26-22(18)28)24(31)27-10-5-4-6-11-27/h9,13-16,25H,2-8,10-12H2,1H3/b25-21+
InChIKeyQKDQMURGXOMIQJ-NJNXFGOHSA-N
XLogP3.68
TPSA82.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.53
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1-[4-[6-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-3,4-dihydro-2H-1,8-naphthyridin-1-yl]-2-imino-1-pyridinyl]-2-methylidenebutan-1-one
CID 166886644
4-[6-(piperidine-1-carbonyl)-3,4-dihydro-2H-1,8-naphthyridin-1-yl]benzoic acid
CID 154994854
4-[6-(piperidine-1-carbonyl)-3,4-dihydro-2H-1,8-naphthyridin-1-yl]benzenecarboximidamide
CID 166886356
1-[4-[6-(4-fluoro-3,4-dimethylpiperidine-1-carbonyl)-3,4-dihydro-2H-1,8-naphthyridin-1-yl]-2-imino-1-pyridinyl]-2-methylpropan-1-one
CID 166887179
[8-(4-methoxyphenyl)-6,7-dihydro-5H-1,8-naphthyridin-3-yl]-piperidin-1-ylmethanone
CID 154994822
1-[2-imino-4-[7-(piperidine-1-carbonyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]-1-pyridinyl]-3-phenylpropan-1-one
CID 166886766
2-[6-(piperidine-1-carbonyl)-3,4-dihydro-2H-1,8-naphthyridin-1-yl]benzoic acid
CID 154994962
2-(2-ethoxyethyl)-5-[6-(piperidine-1-carbonyl)-3,4-dihydro-2H-1,8-naphthyridin-1-yl]-3H-isoindol-1-one
CID 154994948
6-methyl-3-[6-(piperidine-1-carbonyl)-3,4-dihydro-2H-1,8-naphthyridin-1-yl]-5H-pyrrolo[3,4-b]pyridin-7-one
CID 167390377
[8-(3-ethyl-4-methylcyclohexa-1,3-dien-1-yl)-6,7-dihydro-5H-1,8-naphthyridin-3-yl]-piperidin-1-ylmethanone
CID 166887012
2-(2-ethoxyethyl)-5-[6-(piperidine-1-carbonyl)-3,4-dihydro-2H-1,8-naphthyridin-1-yl]-2,3-dihydroinden-1-one
CID 166887007
2-(2-methoxyethyl)-5-[6-(piperidine-1-carbonyl)-3,4-dihydro-2H-1,8-naphthyridin-1-yl]-2,3-dihydroinden-1-one
CID 166886458

Frequently Asked Questions

What is the IUPAC name of 1-[2-imino-4-[6-(piperidine-1-carbonyl)-3,4-dihydro-2H-1,8-naphthyridin-1-yl]-1-pyridinyl]-2-methylidenebutan-1-one?
The IUPAC name of 1-[2-imino-4-[6-(piperidine-1-carbonyl)-3,4-dihydro-2H-1,8-naphthyridin-1-yl]-1-pyridinyl]-2-methylidenebutan-1-one (CID 166886748) is 1-[2-imino-4-[6-(piperidine-1-carbonyl)-3,4-dihydro-2H-1,8-naphthyridin-1-yl]-1-pyridinyl]-2-methylidenebutan-1-one.
What is the SMILES notation for 1-[2-imino-4-[6-(piperidine-1-carbonyl)-3,4-dihydro-2H-1,8-naphthyridin-1-yl]-1-pyridinyl]-2-methylidenebutan-1-one?
The canonical SMILES for 1-[2-imino-4-[6-(piperidine-1-carbonyl)-3,4-dihydro-2H-1,8-naphthyridin-1-yl]-1-pyridinyl]-2-methylidenebutan-1-one is [H]/N=c1\cc(N2CCCc3cc(C(=O)N4CCCCC4)cnc32)ccn1C(=O)C(=C)CC.
What is the InChIKey of 1-[2-imino-4-[6-(piperidine-1-carbonyl)-3,4-dihydro-2H-1,8-naphthyridin-1-yl]-1-pyridinyl]-2-methylidenebutan-1-one?
The InChIKey is QKDQMURGXOMIQJ-NJNXFGOHSA-N. The full InChI is InChI=1S/C24H29N5O2/c1-3-17(2)23(30)29-13-9-20(15-21(29)25)28-12-7-8-18-14-19(16-26-22(18)28)24(31)27-10-5-4-6-11-27/h9,13-16,25H,2-8,10-12H2,1H3/b25-21+.
What are the key properties of 1-[2-imino-4-[6-(piperidine-1-carbonyl)-3,4-dihydro-2H-1,8-naphthyridin-1-yl]-1-pyridinyl]-2-methylidenebutan-1-one?
1-[2-imino-4-[6-(piperidine-1-carbonyl)-3,4-dihydro-2H-1,8-naphthyridin-1-yl]-1-pyridinyl]-2-methylidenebutan-1-one has a molecular weight of 419.53 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-imino-4-[6-(piperidine-1-carbonyl)-3,4-dihydro-2H-1,8-naphthyridin-1-yl]-1-pyridinyl]-2-methylidenebutan-1-one is sourced from PubChem (CID 166886748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).