N-(2-aminophenyl)-6-[4-anilino-4-(methylcarbamoyl)piperidin-1-yl]pyridine-3-carboxamide

C25H28N6O2 — CID 89175435

IUPACN-(2-aminophenyl)-6-[4-anilino-4-(methylcarbamoyl)piperidin-1-yl]pyridine-3-carboxamide
SMILESCNC(=O)C1(Nc2ccccc2)CCN(c2ccc(C(=O)Nc3ccccc3N)cn2)CC1
InChIInChI=1S/C25H28N6O2/c1-27-24(33)25(30-19-7-3-2-4-8-19)13-15-31(16-14-25)22-12-11-18(17-28-22)23(32)29-21-10-6-5-9-20(21)26/h2-12,17,30H,13-16,26H2,1H3,(H,27,33)(H,29,32)
InChIKeyOINXJZCMNRVOQV-UHFFFAOYSA-N
MW444.54 g/mol
LogP3.11
Rot. Bonds6

About N-(2-aminophenyl)-6-[4-anilino-4-(methylcarbamoyl)piperidin-1-yl]pyridine-3-carboxamide

N-(2-aminophenyl)-6-[4-anilino-4-(methylcarbamoyl)piperidin-1-yl]pyridine-3-carboxamide (PubChem CID 89175435) has the molecular formula C25H28N6O2 and a molecular weight of 444.54 g/mol. Its IUPAC name is N-(2-aminophenyl)-6-[4-anilino-4-(methylcarbamoyl)piperidin-1-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-6-[4-anilino-4-(methylcarbamoyl)piperidin-1-yl]pyridine-3-carboxamide
PubChem CID89175435
Molecular FormulaC25H28N6O2
Molecular Weight444.54 g/mol
Exact Mass444.23
IUPAC NameN-(2-aminophenyl)-6-[4-anilino-4-(methylcarbamoyl)piperidin-1-yl]pyridine-3-carboxamide
SMILESCNC(=O)C1(Nc2ccccc2)CCN(c2ccc(C(=O)Nc3ccccc3N)cn2)CC1
InChIInChI=1S/C25H28N6O2/c1-27-24(33)25(30-19-7-3-2-4-8-19)13-15-31(16-14-25)22-12-11-18(17-28-22)23(32)29-21-10-6-5-9-20(21)26/h2-12,17,30H,13-16,26H2,1H3,(H,27,33)(H,29,32)
InChIKeyOINXJZCMNRVOQV-UHFFFAOYSA-N
XLogP3.11
TPSA112.38 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.54
LogP ≤ 53.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(2-aminophenyl)-6-(1,8-diazaspiro[4.5]decan-8-yl)pyridine-3-carboxamide
CID 123593113
2-[5-[(2-aminophenyl)carbamoyl]-2-pyridinyl]-2,8-diazaspiro[4.5]decane-8-carboxylic acid
CID 68900468
(1S)-1'-[5-[(2-aminophenyl)carbamoyl]-2-pyridinyl]-N-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1-carboxamide
CID 25009484
(2S)-4-[5-[(2-aminophenyl)carbamoyl]-2-pyridinyl]-2-methyl-N-phenylpiperazine-1-carboxamide
CID 16662872
N-(2-aminophenyl)-6-(3,5-dimethylpiperazin-1-yl)pyridine-3-carboxamide
CID 69085241
benzyl 7-[5-[(2-aminophenyl)carbamoyl]-2-pyridinyl]-2,7-diazaspiro[4.4]nonane-2-carboxylate
CID 24745586
tert-butyl 1'-[5-[(2-aminophenyl)carbamoyl]-2-pyridinyl]spiro[1,3-dihydroisoquinoline-4,4'-piperidine]-2-carboxylate
CID 25009486
5-N-(2-aminophenyl)-2-N-methylpyridine-2,5-dicarboxamide
CID 53245480
tert-butyl (5R)-2-[5-[(2-aminophenyl)carbamoyl]-2-pyridinyl]-2,7-diazaspiro[4.5]decane-7-carboxylate
CID 143469921
N-(2-methylphenyl)-6-(4-phenylpiperazin-1-yl)pyridine-3-carboxamide
CID 109159582
N-(2-aminophenyl)-6-[1-[(2E,6Z)-octa-2,6-dien-4-yl]-2-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]pyridine-3-carboxamide
CID 143469870
N-(2-aminophenyl)-6-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)pyridine-3-carboxamide
CID 16662758

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-6-[4-anilino-4-(methylcarbamoyl)piperidin-1-yl]pyridine-3-carboxamide?
The IUPAC name of N-(2-aminophenyl)-6-[4-anilino-4-(methylcarbamoyl)piperidin-1-yl]pyridine-3-carboxamide (CID 89175435) is N-(2-aminophenyl)-6-[4-anilino-4-(methylcarbamoyl)piperidin-1-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-(2-aminophenyl)-6-[4-anilino-4-(methylcarbamoyl)piperidin-1-yl]pyridine-3-carboxamide?
The canonical SMILES for N-(2-aminophenyl)-6-[4-anilino-4-(methylcarbamoyl)piperidin-1-yl]pyridine-3-carboxamide is CNC(=O)C1(Nc2ccccc2)CCN(c2ccc(C(=O)Nc3ccccc3N)cn2)CC1.
What is the InChIKey of N-(2-aminophenyl)-6-[4-anilino-4-(methylcarbamoyl)piperidin-1-yl]pyridine-3-carboxamide?
The InChIKey is OINXJZCMNRVOQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N6O2/c1-27-24(33)25(30-19-7-3-2-4-8-19)13-15-31(16-14-25)22-12-11-18(17-28-22)23(32)29-21-10-6-5-9-20(21)26/h2-12,17,30H,13-16,26H2,1H3,(H,27,33)(H,29,32).
What are the key properties of N-(2-aminophenyl)-6-[4-anilino-4-(methylcarbamoyl)piperidin-1-yl]pyridine-3-carboxamide?
N-(2-aminophenyl)-6-[4-anilino-4-(methylcarbamoyl)piperidin-1-yl]pyridine-3-carboxamide has a molecular weight of 444.54 g/mol, XLogP of 3.11, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-6-[4-anilino-4-(methylcarbamoyl)piperidin-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 89175435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).