4-[4-(5-amino-2-methylphenyl)-2-pyridinyl]-N-cyclopropylpyridine-2-carboxamide

C21H20N4O — CID 168928933

IUPAC4-[4-(5-amino-2-methylphenyl)-2-pyridinyl]-N-cyclopropylpyridine-2-carboxamide
SMILESCc1ccc(N)cc1-c1ccnc(-c2ccnc(C(=O)NC3CC3)c2)c1
InChIInChI=1S/C21H20N4O/c1-13-2-3-16(22)12-18(13)14-6-8-23-19(10-14)15-7-9-24-20(11-15)21(26)25-17-4-5-17/h2-3,6-12,17H,4-5,22H2,1H3,(H,25,26)
InChIKeyDBRPPEOGZDIXIH-UHFFFAOYSA-N
MW344.42 g/mol
LogP3.59
Rot. Bonds4

About 4-[4-(5-amino-2-methylphenyl)-2-pyridinyl]-N-cyclopropylpyridine-2-carboxamide

4-[4-(5-amino-2-methylphenyl)-2-pyridinyl]-N-cyclopropylpyridine-2-carboxamide (PubChem CID 168928933) has the molecular formula C21H20N4O and a molecular weight of 344.42 g/mol. Its IUPAC name is 4-[4-(5-amino-2-methylphenyl)-2-pyridinyl]-N-cyclopropylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-[4-(5-amino-2-methylphenyl)-2-pyridinyl]-N-cyclopropylpyridine-2-carboxamide
PubChem CID168928933
Molecular FormulaC21H20N4O
Molecular Weight344.42 g/mol
Exact Mass344.16
IUPAC Name4-[4-(5-amino-2-methylphenyl)-2-pyridinyl]-N-cyclopropylpyridine-2-carboxamide
SMILESCc1ccc(N)cc1-c1ccnc(-c2ccnc(C(=O)NC3CC3)c2)c1
InChIInChI=1S/C21H20N4O/c1-13-2-3-16(22)12-18(13)14-6-8-23-19(10-14)15-7-9-24-20(11-15)21(26)25-17-4-5-17/h2-3,6-12,17H,4-5,22H2,1H3,(H,25,26)
InChIKeyDBRPPEOGZDIXIH-UHFFFAOYSA-N
XLogP3.59
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-[4-[5-[[2-(2-fluoropropan-2-yl)pyridine-4-carbonyl]amino]-2-methylphenyl]-2-pyridinyl]-N-(1-methylazetidin-3-yl)pyridine-2-carboxamide
CID 169024539
4-[4-[5-[[amino-(5-cyclopropylpyridazin-3-yl)methylidene]amino]-2-methylphenyl]-2-pyridinyl]-N-methylpyridine-2-carboxamide
CID 176565447
N-[4-[4-(5-amino-2-methylphenyl)-6-cyclopropyl-2-pyridinyl]-2-pyridinyl]methanesulfonamide
CID 169024748
N-cyclopropyl-6-methylpyrimidine-4-carboxamide
CID 110848002
4-amino-N-(thiolan-3-yl)pyridine-2-carboxamide
CID 103064661
N-[(3R)-1-cyanopyrrolidin-3-yl]-4-pyridin-2-ylpyridine-2-carboxamide
CID 122590587
6-[5-(5-amino-2-methylphenyl)-3-pyridinyl]-N-methylpyrimidine-4-carboxamide
CID 168928767
4-[6-[5-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-2-methylphenyl]pyrazin-2-yl]-N-cyclopropylpyridine-2-carboxamide
CID 168930218
N-cyclopropyl-4-[(4-methylphenyl)methylamino]pyridine-2-carboxamide
CID 109201706
4-amino-N-(3-ethylcyclohexyl)pyridine-2-carboxamide
CID 64741870
4-amino-N-(2-methylcyclopropyl)pyridine-2-carboxamide
CID 62410186
4-(methylamino)-N-(4-methylcyclohexyl)pyridine-2-carboxamide
CID 55042259

Frequently Asked Questions

What is the IUPAC name of 4-[4-(5-amino-2-methylphenyl)-2-pyridinyl]-N-cyclopropylpyridine-2-carboxamide?
The IUPAC name of 4-[4-(5-amino-2-methylphenyl)-2-pyridinyl]-N-cyclopropylpyridine-2-carboxamide (CID 168928933) is 4-[4-(5-amino-2-methylphenyl)-2-pyridinyl]-N-cyclopropylpyridine-2-carboxamide.
What is the SMILES notation for 4-[4-(5-amino-2-methylphenyl)-2-pyridinyl]-N-cyclopropylpyridine-2-carboxamide?
The canonical SMILES for 4-[4-(5-amino-2-methylphenyl)-2-pyridinyl]-N-cyclopropylpyridine-2-carboxamide is Cc1ccc(N)cc1-c1ccnc(-c2ccnc(C(=O)NC3CC3)c2)c1.
What is the InChIKey of 4-[4-(5-amino-2-methylphenyl)-2-pyridinyl]-N-cyclopropylpyridine-2-carboxamide?
The InChIKey is DBRPPEOGZDIXIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O/c1-13-2-3-16(22)12-18(13)14-6-8-23-19(10-14)15-7-9-24-20(11-15)21(26)25-17-4-5-17/h2-3,6-12,17H,4-5,22H2,1H3,(H,25,26).
What are the key properties of 4-[4-(5-amino-2-methylphenyl)-2-pyridinyl]-N-cyclopropylpyridine-2-carboxamide?
4-[4-(5-amino-2-methylphenyl)-2-pyridinyl]-N-cyclopropylpyridine-2-carboxamide has a molecular weight of 344.42 g/mol, XLogP of 3.59, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(5-amino-2-methylphenyl)-2-pyridinyl]-N-cyclopropylpyridine-2-carboxamide is sourced from PubChem (CID 168928933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).