2-(2-methoxyanilino)-N-[(3S)-2-oxopiperidin-3-yl]pyridine-3-carboxamide

C18H20N4O3 — CID 95048372

IUPAC2-(2-methoxyanilino)-N-[(3S)-2-oxopiperidin-3-yl]pyridine-3-carboxamide
SMILESCOc1ccccc1Nc1ncccc1C(=O)N[C@H]1CCCNC1=O
InChIInChI=1S/C18H20N4O3/c1-25-15-9-3-2-7-13(15)21-16-12(6-4-10-19-16)17(23)22-14-8-5-11-20-18(14)24/h2-4,6-7,9-10,14H,5,8,11H2,1H3,(H,19,21)(H,20,24)(H,22,23)/t14-/m0/s1
InChIKeyXDDDVWLJKMMMRI-AWEZNQCLSA-N
MW340.38 g/mol
LogP1.84
Rot. Bonds5

About 2-(2-methoxyanilino)-N-[(3S)-2-oxopiperidin-3-yl]pyridine-3-carboxamide

2-(2-methoxyanilino)-N-[(3S)-2-oxopiperidin-3-yl]pyridine-3-carboxamide (PubChem CID 95048372) has the molecular formula C18H20N4O3 and a molecular weight of 340.38 g/mol. Its IUPAC name is 2-(2-methoxyanilino)-N-[(3S)-2-oxopiperidin-3-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(2-methoxyanilino)-N-[(3S)-2-oxopiperidin-3-yl]pyridine-3-carboxamide
PubChem CID95048372
Molecular FormulaC18H20N4O3
Molecular Weight340.38 g/mol
Exact Mass340.15
IUPAC Name2-(2-methoxyanilino)-N-[(3S)-2-oxopiperidin-3-yl]pyridine-3-carboxamide
SMILESCOc1ccccc1Nc1ncccc1C(=O)N[C@H]1CCCNC1=O
InChIInChI=1S/C18H20N4O3/c1-25-15-9-3-2-7-13(15)21-16-12(6-4-10-19-16)17(23)22-14-8-5-11-20-18(14)24/h2-4,6-7,9-10,14H,5,8,11H2,1H3,(H,19,21)(H,20,24)(H,22,23)/t14-/m0/s1
InChIKeyXDDDVWLJKMMMRI-AWEZNQCLSA-N
XLogP1.84
TPSA92.35 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 51.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-N-[(3S)-2-oxopiperidin-3-yl]-2-N-[(3R)-2-oxopiperidin-3-yl]benzene-1,2-dicarboxamide
CID 26791100
2-(methylamino)-N-[(3S)-2-oxoazepan-3-yl]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid
CID 154886904
2-(2-methoxyanilino)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 51250549
1-(2-methoxy-3-pyridinyl)-3-[(3R)-2-oxopiperidin-3-yl]urea
CID 94796982
2-(2-methoxyanilino)-N-propylpyridine-3-carboxamide
CID 32736796
2-chloro-N-(2-oxopiperidin-3-yl)benzamide
CID 47478270
N-(4-chlorophenyl)-2-(2-methoxyanilino)pyridine-3-carboxamide
CID 23632593
2-[(2-methoxyphenyl)methyl]-N-(2-oxopiperidin-3-yl)pyridine-4-carboxamide
CID 110090697
2-[(2-methoxyphenyl)methyl]-N-[(3R)-2-oxopiperidin-3-yl]pyridine-4-carboxamide
CID 125023469
1-(2-methoxy-3-pyridinyl)-3-[(3S)-2-oxoazepan-3-yl]urea
CID 94030553
N-[(3R)-2-oxopiperidin-3-yl]benzo[f]quinoline-5-carboxamide
CID 95272465
N-(3,4-dichlorophenyl)-2-(2-methoxyanilino)pyridine-3-carboxamide
CID 23632728

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyanilino)-N-[(3S)-2-oxopiperidin-3-yl]pyridine-3-carboxamide?
The IUPAC name of 2-(2-methoxyanilino)-N-[(3S)-2-oxopiperidin-3-yl]pyridine-3-carboxamide (CID 95048372) is 2-(2-methoxyanilino)-N-[(3S)-2-oxopiperidin-3-yl]pyridine-3-carboxamide.
What is the SMILES notation for 2-(2-methoxyanilino)-N-[(3S)-2-oxopiperidin-3-yl]pyridine-3-carboxamide?
The canonical SMILES for 2-(2-methoxyanilino)-N-[(3S)-2-oxopiperidin-3-yl]pyridine-3-carboxamide is COc1ccccc1Nc1ncccc1C(=O)N[C@H]1CCCNC1=O.
What is the InChIKey of 2-(2-methoxyanilino)-N-[(3S)-2-oxopiperidin-3-yl]pyridine-3-carboxamide?
The InChIKey is XDDDVWLJKMMMRI-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H20N4O3/c1-25-15-9-3-2-7-13(15)21-16-12(6-4-10-19-16)17(23)22-14-8-5-11-20-18(14)24/h2-4,6-7,9-10,14H,5,8,11H2,1H3,(H,19,21)(H,20,24)(H,22,23)/t14-/m0/s1.
What are the key properties of 2-(2-methoxyanilino)-N-[(3S)-2-oxopiperidin-3-yl]pyridine-3-carboxamide?
2-(2-methoxyanilino)-N-[(3S)-2-oxopiperidin-3-yl]pyridine-3-carboxamide has a molecular weight of 340.38 g/mol, XLogP of 1.84, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyanilino)-N-[(3S)-2-oxopiperidin-3-yl]pyridine-3-carboxamide is sourced from PubChem (CID 95048372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).