N-butan-2-yl-4-(2-tert-butylanilino)pyridine-2-carboxamide

C20H27N3O — CID 109203340

IUPACN-butan-2-yl-4-(2-tert-butylanilino)pyridine-2-carboxamide
SMILESCCC(C)NC(=O)c1cc(Nc2ccccc2C(C)(C)C)ccn1
InChIInChI=1S/C20H27N3O/c1-6-14(2)22-19(24)18-13-15(11-12-21-18)23-17-10-8-7-9-16(17)20(3,4)5/h7-14H,6H2,1-5H3,(H,21,23)(H,22,24)
InChIKeyOMAAVBGWUYSOPQ-UHFFFAOYSA-N
MW325.46 g/mol
LogP4.65
Rot. Bonds5

About N-butan-2-yl-4-(2-tert-butylanilino)pyridine-2-carboxamide

N-butan-2-yl-4-(2-tert-butylanilino)pyridine-2-carboxamide (PubChem CID 109203340) has the molecular formula C20H27N3O and a molecular weight of 325.46 g/mol. Its IUPAC name is N-butan-2-yl-4-(2-tert-butylanilino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-4-(2-tert-butylanilino)pyridine-2-carboxamide
PubChem CID109203340
Molecular FormulaC20H27N3O
Molecular Weight325.46 g/mol
Exact Mass325.22
IUPAC NameN-butan-2-yl-4-(2-tert-butylanilino)pyridine-2-carboxamide
SMILESCCC(C)NC(=O)c1cc(Nc2ccccc2C(C)(C)C)ccn1
InChIInChI=1S/C20H27N3O/c1-6-14(2)22-19(24)18-13-15(11-12-21-18)23-17-10-8-7-9-16(17)20(3,4)5/h7-14H,6H2,1-5H3,(H,21,23)(H,22,24)
InChIKeyOMAAVBGWUYSOPQ-UHFFFAOYSA-N
XLogP4.65
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-anilino-N-butan-2-ylpyridine-2-carboxamide
CID 109203318
N-butan-2-yl-5-(2-tert-butylanilino)pyrazine-2-carboxamide
CID 109273222
N-butan-2-yl-4-(ethylamino)pyridine-2-carboxamide
CID 62171647
4-(2-tert-butylanilino)-N-[2-(dimethylamino)ethyl]pyridine-2-carboxamide
CID 109207180
N-butan-2-yl-2-(2-tert-butylanilino)-6-methylpyrimidine-4-carboxamide
CID 109321474
N-(2-tert-butylphenyl)-4-(propan-2-ylamino)pyridine-2-carboxamide
CID 109201594
N-butan-2-yl-4-(2,3,4-trifluoroanilino)pyridine-2-carboxamide
CID 109203420
N-butan-2-yl-4-(2,4-dichloroanilino)pyridine-2-carboxamide
CID 109203407
N-butan-2-yl-4-[3-(trifluoromethyl)anilino]pyridine-2-carboxamide
CID 109203369
N-butan-2-yl-4-(4-propan-2-ylanilino)pyridine-2-carboxamide
CID 109203336
N-butan-2-yl-4-(2-phenylethylamino)pyridine-2-carboxamide
CID 109203268
4-(2-tert-butylanilino)-N-(4-methoxyphenyl)pyridine-2-carboxamide
CID 109220562

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-4-(2-tert-butylanilino)pyridine-2-carboxamide?
The IUPAC name of N-butan-2-yl-4-(2-tert-butylanilino)pyridine-2-carboxamide (CID 109203340) is N-butan-2-yl-4-(2-tert-butylanilino)pyridine-2-carboxamide.
What is the SMILES notation for N-butan-2-yl-4-(2-tert-butylanilino)pyridine-2-carboxamide?
The canonical SMILES for N-butan-2-yl-4-(2-tert-butylanilino)pyridine-2-carboxamide is CCC(C)NC(=O)c1cc(Nc2ccccc2C(C)(C)C)ccn1.
What is the InChIKey of N-butan-2-yl-4-(2-tert-butylanilino)pyridine-2-carboxamide?
The InChIKey is OMAAVBGWUYSOPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O/c1-6-14(2)22-19(24)18-13-15(11-12-21-18)23-17-10-8-7-9-16(17)20(3,4)5/h7-14H,6H2,1-5H3,(H,21,23)(H,22,24).
What are the key properties of N-butan-2-yl-4-(2-tert-butylanilino)pyridine-2-carboxamide?
N-butan-2-yl-4-(2-tert-butylanilino)pyridine-2-carboxamide has a molecular weight of 325.46 g/mol, XLogP of 4.65, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-4-(2-tert-butylanilino)pyridine-2-carboxamide is sourced from PubChem (CID 109203340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).