2-(4-methoxyanilino)-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]pyridine-3-carboxamide

C22H30N4O2 — CID 92584070

IUPAC2-(4-methoxyanilino)-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]pyridine-3-carboxamide
SMILESCOc1ccc(Nc2ncccc2C(=O)NCCCN2CCC[C@H](C)C2)cc1
InChIInChI=1S/C22H30N4O2/c1-17-6-4-14-26(16-17)15-5-13-24-22(27)20-7-3-12-23-21(20)25-18-8-10-19(28-2)11-9-18/h3,7-12,17H,4-6,13-16H2,1-2H3,(H,23,25)(H,24,27)/t17-/m0/s1
InChIKeyMKKZKFCMBPPWDV-KRWDZBQOSA-N
MW382.51 g/mol
LogP3.69
Rot. Bonds8

About 2-(4-methoxyanilino)-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]pyridine-3-carboxamide

2-(4-methoxyanilino)-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]pyridine-3-carboxamide (PubChem CID 92584070) has the molecular formula C22H30N4O2 and a molecular weight of 382.51 g/mol. Its IUPAC name is 2-(4-methoxyanilino)-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(4-methoxyanilino)-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]pyridine-3-carboxamide
PubChem CID92584070
Molecular FormulaC22H30N4O2
Molecular Weight382.51 g/mol
Exact Mass382.24
IUPAC Name2-(4-methoxyanilino)-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]pyridine-3-carboxamide
SMILESCOc1ccc(Nc2ncccc2C(=O)NCCCN2CCC[C@H](C)C2)cc1
InChIInChI=1S/C22H30N4O2/c1-17-6-4-14-26(16-17)15-5-13-24-22(27)20-7-3-12-23-21(20)25-18-8-10-19(28-2)11-9-18/h3,7-12,17H,4-6,13-16H2,1-2H3,(H,23,25)(H,24,27)/t17-/m0/s1
InChIKeyMKKZKFCMBPPWDV-KRWDZBQOSA-N
XLogP3.69
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(4-methoxyanilino)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 44759391
2,3-bis(4-methoxyphenyl)-N-[3-(3-methylpiperidin-1-yl)propyl]quinoxaline-6-carboxamide
CID 20967727
1-(2-methoxy-3-pyridinyl)-3-[4-(3-methylpiperidin-1-yl)butyl]urea
CID 47042538
N-[4-(3-methylpiperidin-1-yl)butyl]naphthalene-2-carboxamide
CID 51115800
N-[3-(3-methylpiperidin-1-yl)propyl]furo[3,2-b]quinoxaline-3-carboxamide
CID 3239334
2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-N-[4-(3-methylpiperidin-1-yl)butyl]pyridine-3-carboxamide
CID 47041493
2-(difluoromethoxy)-4-methoxy-N-[2-(3-methylpiperidin-1-yl)ethyl]benzamide
CID 119045845
1-(4-methoxyphenyl)sulfonyl-N-[3-(3-methylpiperidin-1-yl)propyl]piperidine-4-carboxamide
CID 133167714
N-[3-(3-methylpiperidin-1-yl)propyl]-4-(trifluoromethyl)quinoline-3-carboxamide
CID 78885440
3-[(4-methoxyphenyl)-methylsulfamoyl]-N-[4-(3-methylpiperidin-1-yl)butyl]benzamide
CID 55725093
N-[3-(4-hydroxypiperidin-1-yl)propyl]-2-(propan-2-ylamino)pyridine-3-carboxamide
CID 111539069
N-(3-aminopropyl)-2-(4-ethoxyanilino)pyridine-3-carboxamide;dihydrochloride
CID 119405364

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyanilino)-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]pyridine-3-carboxamide?
The IUPAC name of 2-(4-methoxyanilino)-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]pyridine-3-carboxamide (CID 92584070) is 2-(4-methoxyanilino)-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-(4-methoxyanilino)-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]pyridine-3-carboxamide?
The canonical SMILES for 2-(4-methoxyanilino)-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]pyridine-3-carboxamide is COc1ccc(Nc2ncccc2C(=O)NCCCN2CCC[C@H](C)C2)cc1.
What is the InChIKey of 2-(4-methoxyanilino)-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]pyridine-3-carboxamide?
The InChIKey is MKKZKFCMBPPWDV-KRWDZBQOSA-N. The full InChI is InChI=1S/C22H30N4O2/c1-17-6-4-14-26(16-17)15-5-13-24-22(27)20-7-3-12-23-21(20)25-18-8-10-19(28-2)11-9-18/h3,7-12,17H,4-6,13-16H2,1-2H3,(H,23,25)(H,24,27)/t17-/m0/s1.
What are the key properties of 2-(4-methoxyanilino)-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]pyridine-3-carboxamide?
2-(4-methoxyanilino)-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]pyridine-3-carboxamide has a molecular weight of 382.51 g/mol, XLogP of 3.69, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyanilino)-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]pyridine-3-carboxamide is sourced from PubChem (CID 92584070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).