N-(2-methyl-6-propan-2-ylphenyl)-5-(2-methylpropylamino)pyridine-3-carboxamide

C20H27N3O — CID 109225028

IUPACN-(2-methyl-6-propan-2-ylphenyl)-5-(2-methylpropylamino)pyridine-3-carboxamide
SMILESCc1cccc(C(C)C)c1NC(=O)c1cncc(NCC(C)C)c1
InChIInChI=1S/C20H27N3O/c1-13(2)10-22-17-9-16(11-21-12-17)20(24)23-19-15(5)7-6-8-18(19)14(3)4/h6-9,11-14,22H,10H2,1-5H3,(H,23,24)
InChIKeyPJYFFEGIDGTZGH-UHFFFAOYSA-N
MW325.46 g/mol
LogP4.83
Rot. Bonds6

About N-(2-methyl-6-propan-2-ylphenyl)-5-(2-methylpropylamino)pyridine-3-carboxamide

N-(2-methyl-6-propan-2-ylphenyl)-5-(2-methylpropylamino)pyridine-3-carboxamide (PubChem CID 109225028) has the molecular formula C20H27N3O and a molecular weight of 325.46 g/mol. Its IUPAC name is N-(2-methyl-6-propan-2-ylphenyl)-5-(2-methylpropylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-methyl-6-propan-2-ylphenyl)-5-(2-methylpropylamino)pyridine-3-carboxamide
PubChem CID109225028
Molecular FormulaC20H27N3O
Molecular Weight325.46 g/mol
Exact Mass325.22
IUPAC NameN-(2-methyl-6-propan-2-ylphenyl)-5-(2-methylpropylamino)pyridine-3-carboxamide
SMILESCc1cccc(C(C)C)c1NC(=O)c1cncc(NCC(C)C)c1
InChIInChI=1S/C20H27N3O/c1-13(2)10-22-17-9-16(11-21-12-17)20(24)23-19-15(5)7-6-8-18(19)14(3)4/h6-9,11-14,22H,10H2,1-5H3,(H,23,24)
InChIKeyPJYFFEGIDGTZGH-UHFFFAOYSA-N
XLogP4.83
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-anilino-N-(2-methyl-6-propan-2-ylphenyl)pyridine-3-carboxamide
CID 109241555
5-(2,6-dimethylanilino)-N-(2-methylpropyl)pyridine-3-carboxamide
CID 109224826
N-(3-chloro-2-methylphenyl)-5-(2-methylpropylamino)pyridine-3-carboxamide
CID 109225036
N-(4-bromo-3-methylphenyl)-5-(2-methylpropylamino)pyridine-3-carboxamide
CID 109225084
N-(3-cyanophenyl)-5-(2-methylpropylamino)pyridine-3-carboxamide
CID 109225107
5-[(2-methylphenyl)methylamino]-N-(2-propan-2-ylphenyl)pyridine-3-carboxamide
CID 109232147
N-(2-ethylphenyl)-5-(2-methylpropylamino)pyridine-3-carboxamide
CID 109225020
5-(4-methylpiperidin-1-yl)-N-(2-methyl-6-propan-2-ylphenyl)pyridine-3-carboxamide
CID 109227277
N-[(4-fluorophenyl)methyl]-5-(2-methyl-6-propan-2-ylanilino)pyridine-3-carboxamide
CID 109233596
5-(2-methyl-6-propan-2-ylanilino)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 109228825
6-methyl-N-(2-methyl-6-propan-2-ylphenyl)pyridine-3-carboxamide
CID 18148418
2-N,5-N-bis(2-methyl-6-propan-2-ylphenyl)pyridine-2,5-dicarboxamide
CID 1312773

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-6-propan-2-ylphenyl)-5-(2-methylpropylamino)pyridine-3-carboxamide?
The IUPAC name of N-(2-methyl-6-propan-2-ylphenyl)-5-(2-methylpropylamino)pyridine-3-carboxamide (CID 109225028) is N-(2-methyl-6-propan-2-ylphenyl)-5-(2-methylpropylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-(2-methyl-6-propan-2-ylphenyl)-5-(2-methylpropylamino)pyridine-3-carboxamide?
The canonical SMILES for N-(2-methyl-6-propan-2-ylphenyl)-5-(2-methylpropylamino)pyridine-3-carboxamide is Cc1cccc(C(C)C)c1NC(=O)c1cncc(NCC(C)C)c1.
What is the InChIKey of N-(2-methyl-6-propan-2-ylphenyl)-5-(2-methylpropylamino)pyridine-3-carboxamide?
The InChIKey is PJYFFEGIDGTZGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O/c1-13(2)10-22-17-9-16(11-21-12-17)20(24)23-19-15(5)7-6-8-18(19)14(3)4/h6-9,11-14,22H,10H2,1-5H3,(H,23,24).
What are the key properties of N-(2-methyl-6-propan-2-ylphenyl)-5-(2-methylpropylamino)pyridine-3-carboxamide?
N-(2-methyl-6-propan-2-ylphenyl)-5-(2-methylpropylamino)pyridine-3-carboxamide has a molecular weight of 325.46 g/mol, XLogP of 4.83, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-6-propan-2-ylphenyl)-5-(2-methylpropylamino)pyridine-3-carboxamide is sourced from PubChem (CID 109225028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).