6-[(5-methyl-1,2-oxazol-3-yl)amino]-N-(4-piperidin-1-ylphenyl)pyridine-3-carboxamide

C21H23N5O2 — CID 109164736

IUPAC6-[(5-methyl-1,2-oxazol-3-yl)amino]-N-(4-piperidin-1-ylphenyl)pyridine-3-carboxamide
SMILESCc1cc(Nc2ccc(C(=O)Nc3ccc(N4CCCCC4)cc3)cn2)no1
InChIInChI=1S/C21H23N5O2/c1-15-13-20(25-28-15)24-19-10-5-16(14-22-19)21(27)23-17-6-8-18(9-7-17)26-11-3-2-4-12-26/h5-10,13-14H,2-4,11-12H2,1H3,(H,23,27)(H,22,24,25)
InChIKeyAMSYNLJLMACHHZ-UHFFFAOYSA-N
MW377.45 g/mol
LogP4.36
Rot. Bonds5

About 6-[(5-methyl-1,2-oxazol-3-yl)amino]-N-(4-piperidin-1-ylphenyl)pyridine-3-carboxamide

6-[(5-methyl-1,2-oxazol-3-yl)amino]-N-(4-piperidin-1-ylphenyl)pyridine-3-carboxamide (PubChem CID 109164736) has the molecular formula C21H23N5O2 and a molecular weight of 377.45 g/mol. Its IUPAC name is 6-[(5-methyl-1,2-oxazol-3-yl)amino]-N-(4-piperidin-1-ylphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[(5-methyl-1,2-oxazol-3-yl)amino]-N-(4-piperidin-1-ylphenyl)pyridine-3-carboxamide
PubChem CID109164736
Molecular FormulaC21H23N5O2
Molecular Weight377.45 g/mol
Exact Mass377.19
IUPAC Name6-[(5-methyl-1,2-oxazol-3-yl)amino]-N-(4-piperidin-1-ylphenyl)pyridine-3-carboxamide
SMILESCc1cc(Nc2ccc(C(=O)Nc3ccc(N4CCCCC4)cc3)cn2)no1
InChIInChI=1S/C21H23N5O2/c1-15-13-20(25-28-15)24-19-10-5-16(14-22-19)21(27)23-17-6-8-18(9-7-17)26-11-3-2-4-12-26/h5-10,13-14H,2-4,11-12H2,1H3,(H,23,27)(H,22,24,25)
InChIKeyAMSYNLJLMACHHZ-UHFFFAOYSA-N
XLogP4.36
TPSA83.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-[(5-methyl-1,2-oxazol-3-yl)amino]-N-(4-pyrrolidin-1-ylphenyl)pyridine-4-carboxamide
CID 109178731
N-(4-acetamidophenyl)-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyridine-3-carboxamide
CID 109164581
5-[(5-methyl-1,2-oxazol-3-yl)amino]-N-(4-piperidin-1-ylphenyl)pyridine-2-carboxamide
CID 109200617
6-(4-fluoroanilino)-N-(4-piperidin-1-ylphenyl)pyridine-3-carboxamide
CID 109163278
6-[(5-methyl-1,2-oxazol-3-yl)amino]-N-(4-propan-2-yloxyphenyl)pyridine-3-carboxamide
CID 109164309
N-(3,4-dichlorophenyl)-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyridine-3-carboxamide
CID 109164919
2-[(5-methyl-1,2-oxazol-3-yl)amino]-N-[4-(4-methylpiperidin-1-yl)phenyl]pyrimidine-5-carboxamide
CID 109270345
4-methyl-N-[6-(4-piperidin-1-ylanilino)-3-pyridinyl]benzamide
CID 113021054
3,4-dimethyl-N-[6-(4-pyrrolidin-1-ylanilino)-3-pyridinyl]benzamide
CID 113021007
[4-(4-methoxyphenyl)piperazin-1-yl]-[6-[(5-methyl-1,2-oxazol-3-yl)amino]-3-pyridinyl]methanone
CID 109162071
methyl 3-[[6-[(5-methyl-1,2-oxazol-3-yl)amino]pyridine-3-carbonyl]amino]benzoate
CID 109164633
6-(4-bromoanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyridine-3-carboxamide
CID 109163837

Frequently Asked Questions

What is the IUPAC name of 6-[(5-methyl-1,2-oxazol-3-yl)amino]-N-(4-piperidin-1-ylphenyl)pyridine-3-carboxamide?
The IUPAC name of 6-[(5-methyl-1,2-oxazol-3-yl)amino]-N-(4-piperidin-1-ylphenyl)pyridine-3-carboxamide (CID 109164736) is 6-[(5-methyl-1,2-oxazol-3-yl)amino]-N-(4-piperidin-1-ylphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-[(5-methyl-1,2-oxazol-3-yl)amino]-N-(4-piperidin-1-ylphenyl)pyridine-3-carboxamide?
The canonical SMILES for 6-[(5-methyl-1,2-oxazol-3-yl)amino]-N-(4-piperidin-1-ylphenyl)pyridine-3-carboxamide is Cc1cc(Nc2ccc(C(=O)Nc3ccc(N4CCCCC4)cc3)cn2)no1.
What is the InChIKey of 6-[(5-methyl-1,2-oxazol-3-yl)amino]-N-(4-piperidin-1-ylphenyl)pyridine-3-carboxamide?
The InChIKey is AMSYNLJLMACHHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O2/c1-15-13-20(25-28-15)24-19-10-5-16(14-22-19)21(27)23-17-6-8-18(9-7-17)26-11-3-2-4-12-26/h5-10,13-14H,2-4,11-12H2,1H3,(H,23,27)(H,22,24,25).
What are the key properties of 6-[(5-methyl-1,2-oxazol-3-yl)amino]-N-(4-piperidin-1-ylphenyl)pyridine-3-carboxamide?
6-[(5-methyl-1,2-oxazol-3-yl)amino]-N-(4-piperidin-1-ylphenyl)pyridine-3-carboxamide has a molecular weight of 377.45 g/mol, XLogP of 4.36, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5-methyl-1,2-oxazol-3-yl)amino]-N-(4-piperidin-1-ylphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 109164736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).