N-(2-tert-butylphenyl)-4-(propan-2-ylamino)pyridine-2-carboxamide

C19H25N3O — CID 109201594

IUPACN-(2-tert-butylphenyl)-4-(propan-2-ylamino)pyridine-2-carboxamide
SMILESCC(C)Nc1ccnc(C(=O)Nc2ccccc2C(C)(C)C)c1
InChIInChI=1S/C19H25N3O/c1-13(2)21-14-10-11-20-17(12-14)18(23)22-16-9-7-6-8-15(16)19(3,4)5/h6-13H,1-5H3,(H,20,21)(H,22,23)
InChIKeyMHSKIPCRSQDARR-UHFFFAOYSA-N
MW311.43 g/mol
LogP4.45
Rot. Bonds4

About N-(2-tert-butylphenyl)-4-(propan-2-ylamino)pyridine-2-carboxamide

N-(2-tert-butylphenyl)-4-(propan-2-ylamino)pyridine-2-carboxamide (PubChem CID 109201594) has the molecular formula C19H25N3O and a molecular weight of 311.43 g/mol. Its IUPAC name is N-(2-tert-butylphenyl)-4-(propan-2-ylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2-tert-butylphenyl)-4-(propan-2-ylamino)pyridine-2-carboxamide
PubChem CID109201594
Molecular FormulaC19H25N3O
Molecular Weight311.43 g/mol
Exact Mass311.20
IUPAC NameN-(2-tert-butylphenyl)-4-(propan-2-ylamino)pyridine-2-carboxamide
SMILESCC(C)Nc1ccnc(C(=O)Nc2ccccc2C(C)(C)C)c1
InChIInChI=1S/C19H25N3O/c1-13(2)21-14-10-11-20-17(12-14)18(23)22-16-9-7-6-8-15(16)19(3,4)5/h6-13H,1-5H3,(H,20,21)(H,22,23)
InChIKeyMHSKIPCRSQDARR-UHFFFAOYSA-N
XLogP4.45
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-tert-butylphenyl)-4-(4-methoxyanilino)pyridine-2-carboxamide
CID 109220552
N-butan-2-yl-4-(2-tert-butylanilino)pyridine-2-carboxamide
CID 109203340
4-(2-tert-butylanilino)-N-(4-methoxyphenyl)pyridine-2-carboxamide
CID 109220562
N-(2,4-dichlorophenyl)-4-(propan-2-ylamino)pyridine-2-carboxamide
CID 109201663
N-(5-chloro-2-methylphenyl)-4-(propan-2-ylamino)pyridine-2-carboxamide
CID 109201602
N-(3,5-dimethylphenyl)-4-(propan-2-ylamino)pyridine-2-carboxamide
CID 109201582
4-(2-tert-butylanilino)-N-[2-(dimethylamino)ethyl]pyridine-2-carboxamide
CID 109207180
4-N-(2-tert-butylphenyl)-2-N-(3-methylphenyl)pyridine-2,4-dicarboxamide
CID 109091209
2-N-(2-tert-butylphenyl)-4-N-(pyridin-4-ylmethyl)pyridine-2,4-dicarboxamide
CID 109087550
N-(2-tert-butylphenyl)-2-(propan-2-ylamino)pyrimidine-5-carboxamide
CID 109247172
N-(4-phenoxyphenyl)-4-(propan-2-ylamino)pyridine-2-carboxamide
CID 109201642
2-N-(2-tert-butylphenyl)-4-N-methyl-4-N-phenylpyridine-2,4-dicarboxamide
CID 109091415

Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butylphenyl)-4-(propan-2-ylamino)pyridine-2-carboxamide?
The IUPAC name of N-(2-tert-butylphenyl)-4-(propan-2-ylamino)pyridine-2-carboxamide (CID 109201594) is N-(2-tert-butylphenyl)-4-(propan-2-ylamino)pyridine-2-carboxamide.
What is the SMILES notation for N-(2-tert-butylphenyl)-4-(propan-2-ylamino)pyridine-2-carboxamide?
The canonical SMILES for N-(2-tert-butylphenyl)-4-(propan-2-ylamino)pyridine-2-carboxamide is CC(C)Nc1ccnc(C(=O)Nc2ccccc2C(C)(C)C)c1.
What is the InChIKey of N-(2-tert-butylphenyl)-4-(propan-2-ylamino)pyridine-2-carboxamide?
The InChIKey is MHSKIPCRSQDARR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O/c1-13(2)21-14-10-11-20-17(12-14)18(23)22-16-9-7-6-8-15(16)19(3,4)5/h6-13H,1-5H3,(H,20,21)(H,22,23).
What are the key properties of N-(2-tert-butylphenyl)-4-(propan-2-ylamino)pyridine-2-carboxamide?
N-(2-tert-butylphenyl)-4-(propan-2-ylamino)pyridine-2-carboxamide has a molecular weight of 311.43 g/mol, XLogP of 4.45, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butylphenyl)-4-(propan-2-ylamino)pyridine-2-carboxamide is sourced from PubChem (CID 109201594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).