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

C20H21N5O2 — CID 109178731

IUPAC2-[(5-methyl-1,2-oxazol-3-yl)amino]-N-(4-pyrrolidin-1-ylphenyl)pyridine-4-carboxamide
SMILESCc1cc(Nc2cc(C(=O)Nc3ccc(N4CCCC4)cc3)ccn2)no1
InChIInChI=1S/C20H21N5O2/c1-14-12-19(24-27-14)23-18-13-15(8-9-21-18)20(26)22-16-4-6-17(7-5-16)25-10-2-3-11-25/h4-9,12-13H,2-3,10-11H2,1H3,(H,22,26)(H,21,23,24)
InChIKeyHFNCHGBJDTWGPA-UHFFFAOYSA-N
MW363.42 g/mol
LogP3.97
Rot. Bonds5

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

2-[(5-methyl-1,2-oxazol-3-yl)amino]-N-(4-pyrrolidin-1-ylphenyl)pyridine-4-carboxamide (PubChem CID 109178731) has the molecular formula C20H21N5O2 and a molecular weight of 363.42 g/mol. Its IUPAC name is 2-[(5-methyl-1,2-oxazol-3-yl)amino]-N-(4-pyrrolidin-1-ylphenyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-[(5-methyl-1,2-oxazol-3-yl)amino]-N-(4-pyrrolidin-1-ylphenyl)pyridine-4-carboxamide
PubChem CID109178731
Molecular FormulaC20H21N5O2
Molecular Weight363.42 g/mol
Exact Mass363.17
IUPAC Name2-[(5-methyl-1,2-oxazol-3-yl)amino]-N-(4-pyrrolidin-1-ylphenyl)pyridine-4-carboxamide
SMILESCc1cc(Nc2cc(C(=O)Nc3ccc(N4CCCC4)cc3)ccn2)no1
InChIInChI=1S/C20H21N5O2/c1-14-12-19(24-27-14)23-18-13-15(8-9-21-18)20(26)22-16-4-6-17(7-5-16)25-10-2-3-11-25/h4-9,12-13H,2-3,10-11H2,1H3,(H,22,26)(H,21,23,24)
InChIKeyHFNCHGBJDTWGPA-UHFFFAOYSA-N
XLogP3.97
TPSA83.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 53.97
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

6-[(5-methyl-1,2-oxazol-3-yl)amino]-N-(4-piperidin-1-ylphenyl)pyridine-3-carboxamide
CID 109164736
N-(4-bromophenyl)-2-[(5-methyl-1,2-oxazol-3-yl)amino]pyridine-4-carboxamide
CID 109177861
5-[(5-methyl-1,2-oxazol-3-yl)amino]-N-(4-piperidin-1-ylphenyl)pyridine-2-carboxamide
CID 109200617
ethyl 4-[[2-[(5-methyl-1,2-oxazol-3-yl)amino]pyridine-4-carbonyl]amino]benzoate
CID 109178880
2-[(4-methylphenyl)methylamino]-N-(4-pyrrolidin-1-ylphenyl)pyridine-4-carboxamide
CID 109170032
N-(4-cyanophenyl)-2-(4-piperidin-1-ylanilino)pyridine-4-carboxamide
CID 109178749
N-(2,6-dichlorophenyl)-2-[(5-methyl-1,2-oxazol-3-yl)amino]pyridine-4-carboxamide
CID 109178961
2-amino-N-(4-piperidin-1-ylphenyl)pyridine-4-carboxamide
CID 110862205
2-(2-methoxyethylamino)-N-(4-piperidin-1-ylphenyl)pyridine-4-carboxamide
CID 109166955
2-piperidin-1-yl-N-(4-pyrrolidin-1-ylphenyl)pyridine-4-carboxamide
CID 109166232
2-[(5-methyl-1,2-oxazol-3-yl)amino]-N-[4-(4-methylpiperidin-1-yl)phenyl]pyrimidine-5-carboxamide
CID 109270345
2-(3-cyanoanilino)-N-(4-piperidin-1-ylphenyl)pyridine-4-carboxamide
CID 109178743

Frequently Asked Questions

What is the IUPAC name of 2-[(5-methyl-1,2-oxazol-3-yl)amino]-N-(4-pyrrolidin-1-ylphenyl)pyridine-4-carboxamide?
The IUPAC name of 2-[(5-methyl-1,2-oxazol-3-yl)amino]-N-(4-pyrrolidin-1-ylphenyl)pyridine-4-carboxamide (CID 109178731) is 2-[(5-methyl-1,2-oxazol-3-yl)amino]-N-(4-pyrrolidin-1-ylphenyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-[(5-methyl-1,2-oxazol-3-yl)amino]-N-(4-pyrrolidin-1-ylphenyl)pyridine-4-carboxamide?
The canonical SMILES for 2-[(5-methyl-1,2-oxazol-3-yl)amino]-N-(4-pyrrolidin-1-ylphenyl)pyridine-4-carboxamide is Cc1cc(Nc2cc(C(=O)Nc3ccc(N4CCCC4)cc3)ccn2)no1.
What is the InChIKey of 2-[(5-methyl-1,2-oxazol-3-yl)amino]-N-(4-pyrrolidin-1-ylphenyl)pyridine-4-carboxamide?
The InChIKey is HFNCHGBJDTWGPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O2/c1-14-12-19(24-27-14)23-18-13-15(8-9-21-18)20(26)22-16-4-6-17(7-5-16)25-10-2-3-11-25/h4-9,12-13H,2-3,10-11H2,1H3,(H,22,26)(H,21,23,24).
What are the key properties of 2-[(5-methyl-1,2-oxazol-3-yl)amino]-N-(4-pyrrolidin-1-ylphenyl)pyridine-4-carboxamide?
2-[(5-methyl-1,2-oxazol-3-yl)amino]-N-(4-pyrrolidin-1-ylphenyl)pyridine-4-carboxamide has a molecular weight of 363.42 g/mol, XLogP of 3.97, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methyl-1,2-oxazol-3-yl)amino]-N-(4-pyrrolidin-1-ylphenyl)pyridine-4-carboxamide is sourced from PubChem (CID 109178731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).