N-(5-methyl-1,2-oxazol-3-yl)-5-(3-phenylpropylamino)pyridine-2-carboxamide

C19H20N4O2 — CID 109194952

IUPACN-(5-methyl-1,2-oxazol-3-yl)-5-(3-phenylpropylamino)pyridine-2-carboxamide
SMILESCc1cc(NC(=O)c2ccc(NCCCc3ccccc3)cn2)no1
InChIInChI=1S/C19H20N4O2/c1-14-12-18(23-25-14)22-19(24)17-10-9-16(13-21-17)20-11-5-8-15-6-3-2-4-7-15/h2-4,6-7,9-10,12-13,20H,5,8,11H2,1H3,(H,22,23,24)
InChIKeyOBFUATNZPJWWJP-UHFFFAOYSA-N
MW336.40 g/mol
LogP3.68
Rot. Bonds7

About N-(5-methyl-1,2-oxazol-3-yl)-5-(3-phenylpropylamino)pyridine-2-carboxamide

N-(5-methyl-1,2-oxazol-3-yl)-5-(3-phenylpropylamino)pyridine-2-carboxamide (PubChem CID 109194952) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is N-(5-methyl-1,2-oxazol-3-yl)-5-(3-phenylpropylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(5-methyl-1,2-oxazol-3-yl)-5-(3-phenylpropylamino)pyridine-2-carboxamide
PubChem CID109194952
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC NameN-(5-methyl-1,2-oxazol-3-yl)-5-(3-phenylpropylamino)pyridine-2-carboxamide
SMILESCc1cc(NC(=O)c2ccc(NCCCc3ccccc3)cn2)no1
InChIInChI=1S/C19H20N4O2/c1-14-12-18(23-25-14)22-19(24)17-10-9-16(13-21-17)20-11-5-8-15-6-3-2-4-7-15/h2-4,6-7,9-10,12-13,20H,5,8,11H2,1H3,(H,22,23,24)
InChIKeyOBFUATNZPJWWJP-UHFFFAOYSA-N
XLogP3.68
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 ≤ 53.68
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

N-(5-methyl-1,2-oxazol-3-yl)-5-(2-phenylethylamino)pyridine-2-carboxamide
CID 109191960
N-(4-acetamidophenyl)-5-(3-phenylpropylamino)pyridine-2-carboxamide
CID 109194935
5-[2-(1H-indol-3-yl)ethylamino]-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2-carboxamide
CID 109193598
N-(3-fluorophenyl)-5-(3-phenylpropylamino)pyridine-2-carboxamide
CID 109194940
N-(5-methyl-1,2-oxazol-3-yl)-5-(1-phenylethylamino)pyridine-2-carboxamide
CID 109189087
N-(5-methyl-1,2-oxazol-3-yl)-5-(prop-2-enylamino)pyridine-2-carboxamide
CID 109180619
N-(3-chloro-4-fluorophenyl)-5-(3-phenylpropylamino)pyridine-2-carboxamide
CID 109194918
N-(5-methyl-1,2-oxazol-3-yl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide
CID 109259621
5-(3-phenylpropylamino)-N-(2-propan-2-yloxyphenyl)pyridine-2-carboxamide
CID 109194927
N-(5-methyl-1,2-oxazol-3-yl)-5-(propan-2-ylamino)pyridine-2-carboxamide
CID 109179831
5-(pentylamino)-N-(3-phenylpropyl)pyridine-2-carboxamide
CID 109194843
5-[(4-methoxyphenyl)methylamino]-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2-carboxamide
CID 109190552

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-5-(3-phenylpropylamino)pyridine-2-carboxamide?
The IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-5-(3-phenylpropylamino)pyridine-2-carboxamide (CID 109194952) is N-(5-methyl-1,2-oxazol-3-yl)-5-(3-phenylpropylamino)pyridine-2-carboxamide.
What is the SMILES notation for N-(5-methyl-1,2-oxazol-3-yl)-5-(3-phenylpropylamino)pyridine-2-carboxamide?
The canonical SMILES for N-(5-methyl-1,2-oxazol-3-yl)-5-(3-phenylpropylamino)pyridine-2-carboxamide is Cc1cc(NC(=O)c2ccc(NCCCc3ccccc3)cn2)no1.
What is the InChIKey of N-(5-methyl-1,2-oxazol-3-yl)-5-(3-phenylpropylamino)pyridine-2-carboxamide?
The InChIKey is OBFUATNZPJWWJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-14-12-18(23-25-14)22-19(24)17-10-9-16(13-21-17)20-11-5-8-15-6-3-2-4-7-15/h2-4,6-7,9-10,12-13,20H,5,8,11H2,1H3,(H,22,23,24).
What are the key properties of N-(5-methyl-1,2-oxazol-3-yl)-5-(3-phenylpropylamino)pyridine-2-carboxamide?
N-(5-methyl-1,2-oxazol-3-yl)-5-(3-phenylpropylamino)pyridine-2-carboxamide has a molecular weight of 336.40 g/mol, XLogP of 3.68, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,2-oxazol-3-yl)-5-(3-phenylpropylamino)pyridine-2-carboxamide is sourced from PubChem (CID 109194952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).