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

C19H20N4O2 — CID 109216673

IUPAC4-[(5-methyl-1,2-oxazol-3-yl)amino]-N-(3-phenylpropyl)pyridine-2-carboxamide
SMILESCc1cc(Nc2ccnc(C(=O)NCCCc3ccccc3)c2)no1
InChIInChI=1S/C19H20N4O2/c1-14-12-18(23-25-14)22-16-9-11-20-17(13-16)19(24)21-10-5-8-15-6-3-2-4-7-15/h2-4,6-7,9,11-13H,5,8,10H2,1H3,(H,21,24)(H,20,22,23)
InChIKeyKZKDIFNXQAEPAW-UHFFFAOYSA-N
MW336.40 g/mol
LogP3.48
Rot. Bonds7

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

4-[(5-methyl-1,2-oxazol-3-yl)amino]-N-(3-phenylpropyl)pyridine-2-carboxamide (PubChem CID 109216673) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is 4-[(5-methyl-1,2-oxazol-3-yl)amino]-N-(3-phenylpropyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-[(5-methyl-1,2-oxazol-3-yl)amino]-N-(3-phenylpropyl)pyridine-2-carboxamide
PubChem CID109216673
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC Name4-[(5-methyl-1,2-oxazol-3-yl)amino]-N-(3-phenylpropyl)pyridine-2-carboxamide
SMILESCc1cc(Nc2ccnc(C(=O)NCCCc3ccccc3)c2)no1
InChIInChI=1S/C19H20N4O2/c1-14-12-18(23-25-14)22-16-9-11-20-17(13-16)19(24)21-10-5-8-15-6-3-2-4-7-15/h2-4,6-7,9,11-13H,5,8,10H2,1H3,(H,21,24)(H,20,22,23)
InChIKeyKZKDIFNXQAEPAW-UHFFFAOYSA-N
XLogP3.48
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 53.48
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

4-anilino-N-(3-phenylpropyl)pyridine-2-carboxamide
CID 109216627
4-(methylamino)-N-(3-phenylpropyl)pyridine-2-carboxamide
CID 62181098
4-(4-acetamidoanilino)-N-(3-phenylpropyl)pyridine-2-carboxamide
CID 109216656
N-[2-(1H-indol-3-yl)ethyl]-4-[(5-methyl-1,2-oxazol-3-yl)amino]pyridine-2-carboxamide
CID 109215332
4-[(5-methyl-1,2-oxazol-3-yl)amino]-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide
CID 109213382
methyl 2-[[2-(3-phenylpropylcarbamoyl)-4-pyridinyl]amino]benzoate
CID 109216657
N-[(2-methoxyphenyl)methyl]-4-[(5-methyl-1,2-oxazol-3-yl)amino]pyridine-2-carboxamide
CID 109212040
N-[3-(dimethylamino)propyl]-4-(3-phenylpropylamino)pyridine-2-carboxamide
CID 109207769
4-[2-(4-fluorophenyl)ethylamino]-N-(3-phenylpropyl)pyridine-2-carboxamide
CID 109214186
4-[(5-methyl-1,2-oxazol-3-yl)amino]-N-(3-methylphenyl)pyridine-2-carboxamide
CID 109219134
N-(5-methyl-1,2-oxazol-3-yl)-5-(3-phenylpropylamino)pyridine-2-carboxamide
CID 109194952
N-(2-phenylethyl)-4-(2-phenylethylamino)pyridine-2-carboxamide
CID 109213524

Frequently Asked Questions

What is the IUPAC name of 4-[(5-methyl-1,2-oxazol-3-yl)amino]-N-(3-phenylpropyl)pyridine-2-carboxamide?
The IUPAC name of 4-[(5-methyl-1,2-oxazol-3-yl)amino]-N-(3-phenylpropyl)pyridine-2-carboxamide (CID 109216673) is 4-[(5-methyl-1,2-oxazol-3-yl)amino]-N-(3-phenylpropyl)pyridine-2-carboxamide.
What is the SMILES notation for 4-[(5-methyl-1,2-oxazol-3-yl)amino]-N-(3-phenylpropyl)pyridine-2-carboxamide?
The canonical SMILES for 4-[(5-methyl-1,2-oxazol-3-yl)amino]-N-(3-phenylpropyl)pyridine-2-carboxamide is Cc1cc(Nc2ccnc(C(=O)NCCCc3ccccc3)c2)no1.
What is the InChIKey of 4-[(5-methyl-1,2-oxazol-3-yl)amino]-N-(3-phenylpropyl)pyridine-2-carboxamide?
The InChIKey is KZKDIFNXQAEPAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-14-12-18(23-25-14)22-16-9-11-20-17(13-16)19(24)21-10-5-8-15-6-3-2-4-7-15/h2-4,6-7,9,11-13H,5,8,10H2,1H3,(H,21,24)(H,20,22,23).
What are the key properties of 4-[(5-methyl-1,2-oxazol-3-yl)amino]-N-(3-phenylpropyl)pyridine-2-carboxamide?
4-[(5-methyl-1,2-oxazol-3-yl)amino]-N-(3-phenylpropyl)pyridine-2-carboxamide has a molecular weight of 336.40 g/mol, XLogP of 3.48, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-methyl-1,2-oxazol-3-yl)amino]-N-(3-phenylpropyl)pyridine-2-carboxamide is sourced from PubChem (CID 109216673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).