(3S)-1-(1-methoxyisoquinoline-3-carbonyl)-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide

C23H24N4O3 — CID 97007368

IUPAC(3S)-1-(1-methoxyisoquinoline-3-carbonyl)-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide
SMILESCOc1nc(C(=O)N2CCC[C@H](C(=O)Nc3cccc(C)n3)C2)cc2ccccc12
InChIInChI=1S/C23H24N4O3/c1-15-7-5-11-20(24-15)26-21(28)17-9-6-12-27(14-17)23(29)19-13-16-8-3-4-10-18(16)22(25-19)30-2/h3-5,7-8,10-11,13,17H,6,9,12,14H2,1-2H3,(H,24,26,28)/t17-/m0/s1
InChIKeyHNIHOVDXECWEOZ-KRWDZBQOSA-N
MW404.47 g/mol
LogP3.44
Rot. Bonds4

About (3S)-1-(1-methoxyisoquinoline-3-carbonyl)-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide

(3S)-1-(1-methoxyisoquinoline-3-carbonyl)-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide (PubChem CID 97007368) has the molecular formula C23H24N4O3 and a molecular weight of 404.47 g/mol. Its IUPAC name is (3S)-1-(1-methoxyisoquinoline-3-carbonyl)-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-(1-methoxyisoquinoline-3-carbonyl)-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide
PubChem CID97007368
Molecular FormulaC23H24N4O3
Molecular Weight404.47 g/mol
Exact Mass404.18
IUPAC Name(3S)-1-(1-methoxyisoquinoline-3-carbonyl)-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide
SMILESCOc1nc(C(=O)N2CCC[C@H](C(=O)Nc3cccc(C)n3)C2)cc2ccccc12
InChIInChI=1S/C23H24N4O3/c1-15-7-5-11-20(24-15)26-21(28)17-9-6-12-27(14-17)23(29)19-13-16-8-3-4-10-18(16)22(25-19)30-2/h3-5,7-8,10-11,13,17H,6,9,12,14H2,1-2H3,(H,24,26,28)/t17-/m0/s1
InChIKeyHNIHOVDXECWEOZ-KRWDZBQOSA-N
XLogP3.44
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-chlorobenzoyl)-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 55813036
(1-methoxyisoquinolin-3-yl)-(3-methoxypiperidin-1-yl)methanone
CID 75419494
tert-butyl 3-[(6-methyl-2-pyridinyl)carbamoyl]piperidine-1-carboxylate
CID 18107272
(3R)-1-(3-methyl-1,2-oxazole-5-carbonyl)-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 94638745
1-(4-chlorobenzoyl)-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 51188759
N-(6-methyl-2-pyridinyl)-1-(piperidine-4-carbonyl)piperidine-3-carboxamide
CID 119855048
N-(6-methyl-2-pyridinyl)-1-(2-nitrobenzoyl)piperidine-3-carboxamide
CID 55815492
N-[1-(1-methoxyisoquinoline-3-carbonyl)piperidin-3-yl]butanamide
CID 60621042
1-[4-(aminomethyl)benzoyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide;dihydrochloride
CID 119855077
1-(2-tert-butyl-1,3-thiazole-5-carbonyl)-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 47892218
1-(3-amino-3-phenylpropanoyl)-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 119953217
1-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 55815500

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(1-methoxyisoquinoline-3-carbonyl)-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide?
The IUPAC name of (3S)-1-(1-methoxyisoquinoline-3-carbonyl)-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide (CID 97007368) is (3S)-1-(1-methoxyisoquinoline-3-carbonyl)-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-(1-methoxyisoquinoline-3-carbonyl)-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-(1-methoxyisoquinoline-3-carbonyl)-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide is COc1nc(C(=O)N2CCC[C@H](C(=O)Nc3cccc(C)n3)C2)cc2ccccc12.
What is the InChIKey of (3S)-1-(1-methoxyisoquinoline-3-carbonyl)-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide?
The InChIKey is HNIHOVDXECWEOZ-KRWDZBQOSA-N. The full InChI is InChI=1S/C23H24N4O3/c1-15-7-5-11-20(24-15)26-21(28)17-9-6-12-27(14-17)23(29)19-13-16-8-3-4-10-18(16)22(25-19)30-2/h3-5,7-8,10-11,13,17H,6,9,12,14H2,1-2H3,(H,24,26,28)/t17-/m0/s1.
What are the key properties of (3S)-1-(1-methoxyisoquinoline-3-carbonyl)-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide?
(3S)-1-(1-methoxyisoquinoline-3-carbonyl)-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide has a molecular weight of 404.47 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(1-methoxyisoquinoline-3-carbonyl)-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide is sourced from PubChem (CID 97007368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).