1-[5-(4-chloro-1,6-naphthyridin-2-yl)-2-pyridinyl]-2-(1-methylpiperidin-4-yl)ethanone

C21H21ClN4O — CID 157103187

IUPAC1-[5-(4-chloro-1,6-naphthyridin-2-yl)-2-pyridinyl]-2-(1-methylpiperidin-4-yl)ethanone
SMILESCN1CCC(CC(=O)c2ccc(-c3cc(Cl)c4cnccc4n3)cn2)CC1
InChIInChI=1S/C21H21ClN4O/c1-26-8-5-14(6-9-26)10-21(27)19-3-2-15(12-24-19)20-11-17(22)16-13-23-7-4-18(16)25-20/h2-4,7,11-14H,5-6,8-10H2,1H3
InChIKeyKXSUAEZHNIZUSC-UHFFFAOYSA-N
MW380.88 g/mol
LogP4.26
Rot. Bonds4

About 1-[5-(4-chloro-1,6-naphthyridin-2-yl)-2-pyridinyl]-2-(1-methylpiperidin-4-yl)ethanone

1-[5-(4-chloro-1,6-naphthyridin-2-yl)-2-pyridinyl]-2-(1-methylpiperidin-4-yl)ethanone (PubChem CID 157103187) has the molecular formula C21H21ClN4O and a molecular weight of 380.88 g/mol. Its IUPAC name is 1-[5-(4-chloro-1,6-naphthyridin-2-yl)-2-pyridinyl]-2-(1-methylpiperidin-4-yl)ethanone.

Molecular Properties

Compound Name1-[5-(4-chloro-1,6-naphthyridin-2-yl)-2-pyridinyl]-2-(1-methylpiperidin-4-yl)ethanone
PubChem CID157103187
Molecular FormulaC21H21ClN4O
Molecular Weight380.88 g/mol
Exact Mass380.14
IUPAC Name1-[5-(4-chloro-1,6-naphthyridin-2-yl)-2-pyridinyl]-2-(1-methylpiperidin-4-yl)ethanone
SMILESCN1CCC(CC(=O)c2ccc(-c3cc(Cl)c4cnccc4n3)cn2)CC1
InChIInChI=1S/C21H21ClN4O/c1-26-8-5-14(6-9-26)10-21(27)19-3-2-15(12-24-19)20-11-17(22)16-13-23-7-4-18(16)25-20/h2-4,7,11-14H,5-6,8-10H2,1H3
InChIKeyKXSUAEZHNIZUSC-UHFFFAOYSA-N
XLogP4.26
TPSA58.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.88
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[5-(4-chloro-1,6-naphthyridin-2-yl)-2-pyridinyl]-2-(1-methylpiperidin-4-yl)ethanone with MolForge

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Related Compounds

1-(4-Benzoylpiperazin-1-yl)-2-(1,6-naphthyridin-2-yl)ethane-1,2-dione
CID 5280261
6-Chloro-2,12,15-triazapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1(21),2,4,6,8,10,12,14(19),15,17-decaen-20-one
CID 9861781
3-(Dimethylamino)-6,10,20-triazapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(20),2,4,6,9,11,13(21),14,16,18-decaen-8-one
CID 9905407
3-Chloro-6,10,20-triazapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(20),2,4,6,9,11,13(21),14,16,18-decaen-8-one
CID 10914121
3-(Dimethylamino)-6,10,16-triazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-8-one
CID 11832660
Cinchoninone
CID 25201712
1-[4-[4-(7-Chloroquinolin-4-yl)piperazin-1-yl]phenyl]ethanone
CID 4885142
(E)-3-(2-chloroquinolin-3-yl)-1-pyridin-3-ylprop-2-en-1-one
CID 11779248
(4-Chlorophenyl)[1-(8-quinolinylmethyl)-3-piperidinyl]methanone
CID 16189937
(4-Chlorophenyl)[1-(quinolin-6-ylmethyl)piperidin-3-yl]methanone
CID 16190864
(4-Chlorophenyl)[1-(quinolin-5-ylmethyl)piperidin-3-yl]methanone
CID 16191138
N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-N-(2-cyclohexyl-2-oxoethyl)pyridine-4-carboxamide
CID 45273745

Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-chloro-1,6-naphthyridin-2-yl)-2-pyridinyl]-2-(1-methylpiperidin-4-yl)ethanone?
The IUPAC name of 1-[5-(4-chloro-1,6-naphthyridin-2-yl)-2-pyridinyl]-2-(1-methylpiperidin-4-yl)ethanone (CID 157103187) is 1-[5-(4-chloro-1,6-naphthyridin-2-yl)-2-pyridinyl]-2-(1-methylpiperidin-4-yl)ethanone.
What is the SMILES notation for 1-[5-(4-chloro-1,6-naphthyridin-2-yl)-2-pyridinyl]-2-(1-methylpiperidin-4-yl)ethanone?
The canonical SMILES for 1-[5-(4-chloro-1,6-naphthyridin-2-yl)-2-pyridinyl]-2-(1-methylpiperidin-4-yl)ethanone is CN1CCC(CC(=O)c2ccc(-c3cc(Cl)c4cnccc4n3)cn2)CC1.
What is the InChIKey of 1-[5-(4-chloro-1,6-naphthyridin-2-yl)-2-pyridinyl]-2-(1-methylpiperidin-4-yl)ethanone?
The InChIKey is KXSUAEZHNIZUSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN4O/c1-26-8-5-14(6-9-26)10-21(27)19-3-2-15(12-24-19)20-11-17(22)16-13-23-7-4-18(16)25-20/h2-4,7,11-14H,5-6,8-10H2,1H3.
What are the key properties of 1-[5-(4-chloro-1,6-naphthyridin-2-yl)-2-pyridinyl]-2-(1-methylpiperidin-4-yl)ethanone?
1-[5-(4-chloro-1,6-naphthyridin-2-yl)-2-pyridinyl]-2-(1-methylpiperidin-4-yl)ethanone has a molecular weight of 380.88 g/mol, XLogP of 4.26, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-chloro-1,6-naphthyridin-2-yl)-2-pyridinyl]-2-(1-methylpiperidin-4-yl)ethanone is sourced from PubChem (CID 157103187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).