5-amino-N-(3-cyano-4-propan-2-yloxyphenyl)pyridine-3-carboxamide

C16H16N4O2 — CID 141478656

IUPAC5-amino-N-(3-cyano-4-propan-2-yloxyphenyl)pyridine-3-carboxamide
SMILESCC(C)Oc1ccc(NC(=O)c2cncc(N)c2)cc1C#N
InChIInChI=1S/C16H16N4O2/c1-10(2)22-15-4-3-14(6-11(15)7-17)20-16(21)12-5-13(18)9-19-8-12/h3-6,8-10H,18H2,1-2H3,(H,20,21)
InChIKeyMPJAILJCWAJPJI-UHFFFAOYSA-N
MW296.33 g/mol
LogP2.57
Rot. Bonds4

About 5-amino-N-(3-cyano-4-propan-2-yloxyphenyl)pyridine-3-carboxamide

5-amino-N-(3-cyano-4-propan-2-yloxyphenyl)pyridine-3-carboxamide (PubChem CID 141478656) has the molecular formula C16H16N4O2 and a molecular weight of 296.33 g/mol. Its IUPAC name is 5-amino-N-(3-cyano-4-propan-2-yloxyphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-amino-N-(3-cyano-4-propan-2-yloxyphenyl)pyridine-3-carboxamide
PubChem CID141478656
Molecular FormulaC16H16N4O2
Molecular Weight296.33 g/mol
Exact Mass296.13
IUPAC Name5-amino-N-(3-cyano-4-propan-2-yloxyphenyl)pyridine-3-carboxamide
SMILESCC(C)Oc1ccc(NC(=O)c2cncc(N)c2)cc1C#N
InChIInChI=1S/C16H16N4O2/c1-10(2)22-15-4-3-14(6-11(15)7-17)20-16(21)12-5-13(18)9-19-8-12/h3-6,8-10H,18H2,1-2H3,(H,20,21)
InChIKeyMPJAILJCWAJPJI-UHFFFAOYSA-N
XLogP2.57
TPSA101.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3-cyano-4-propan-2-yloxyphenyl)carbamoyl]benzoic acid
CID 85471400
4-amino-N-(3-cyano-4-methoxyphenyl)benzamide
CID 23791470
1-(3-cyano-4-propan-2-yloxyphenyl)-3-(1-methylpyrazol-3-yl)urea
CID 86799894
N-(3-cyano-4-propan-2-yloxyphenyl)formamide
CID 169157316
3-amino-5-bromo-N-(3,4-dicyanophenyl)benzamide
CID 107786866
N-(3-cyano-4-propan-2-yloxyphenyl)-1-methoxycyclohexane-1-carboxamide
CID 99822738
N-[3-cyano-4-(1-methoxyethoxy)phenyl]pyridine-2-carboxamide
CID 141478642
4-amino-N-(3-chloro-4-propan-2-yloxyphenyl)benzamide
CID 43712010
1-(3-cyano-4-propan-2-yloxyphenyl)-3-[(1R,2S)-1-(dimethylamino)-1-phenylpropan-2-yl]urea
CID 99800243
N-(3-cyano-4-propoxyphenyl)pyridine-4-carboxamide
CID 141478692
N-(3-cyano-4-propan-2-yloxyphenyl)-2-ethoxy-2,4-dimethylpentanamide
CID 133230029
N-(3-cyano-4-propan-2-yloxyphenyl)-1-ethoxycyclopentane-1-carboxamide
CID 100761719

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(3-cyano-4-propan-2-yloxyphenyl)pyridine-3-carboxamide?
The IUPAC name of 5-amino-N-(3-cyano-4-propan-2-yloxyphenyl)pyridine-3-carboxamide (CID 141478656) is 5-amino-N-(3-cyano-4-propan-2-yloxyphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-amino-N-(3-cyano-4-propan-2-yloxyphenyl)pyridine-3-carboxamide?
The canonical SMILES for 5-amino-N-(3-cyano-4-propan-2-yloxyphenyl)pyridine-3-carboxamide is CC(C)Oc1ccc(NC(=O)c2cncc(N)c2)cc1C#N.
What is the InChIKey of 5-amino-N-(3-cyano-4-propan-2-yloxyphenyl)pyridine-3-carboxamide?
The InChIKey is MPJAILJCWAJPJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2/c1-10(2)22-15-4-3-14(6-11(15)7-17)20-16(21)12-5-13(18)9-19-8-12/h3-6,8-10H,18H2,1-2H3,(H,20,21).
What are the key properties of 5-amino-N-(3-cyano-4-propan-2-yloxyphenyl)pyridine-3-carboxamide?
5-amino-N-(3-cyano-4-propan-2-yloxyphenyl)pyridine-3-carboxamide has a molecular weight of 296.33 g/mol, XLogP of 2.57, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(3-cyano-4-propan-2-yloxyphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 141478656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).