4-(butan-2-ylamino)-N-[4-(diethylamino)-2-methylphenyl]pyridine-2-carboxamide

C21H30N4O — CID 109203604

IUPAC4-(butan-2-ylamino)-N-[4-(diethylamino)-2-methylphenyl]pyridine-2-carboxamide
SMILESCCC(C)Nc1ccnc(C(=O)Nc2ccc(N(CC)CC)cc2C)c1
InChIInChI=1S/C21H30N4O/c1-6-16(5)23-17-11-12-22-20(14-17)21(26)24-19-10-9-18(13-15(19)4)25(7-2)8-3/h9-14,16H,6-8H2,1-5H3,(H,22,23)(H,24,26)
InChIKeyJWHGNPVRDVMANW-UHFFFAOYSA-N
MW354.50 g/mol
LogP4.70
Rot. Bonds8

About 4-(butan-2-ylamino)-N-[4-(diethylamino)-2-methylphenyl]pyridine-2-carboxamide

4-(butan-2-ylamino)-N-[4-(diethylamino)-2-methylphenyl]pyridine-2-carboxamide (PubChem CID 109203604) has the molecular formula C21H30N4O and a molecular weight of 354.50 g/mol. Its IUPAC name is 4-(butan-2-ylamino)-N-[4-(diethylamino)-2-methylphenyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(butan-2-ylamino)-N-[4-(diethylamino)-2-methylphenyl]pyridine-2-carboxamide
PubChem CID109203604
Molecular FormulaC21H30N4O
Molecular Weight354.50 g/mol
Exact Mass354.24
IUPAC Name4-(butan-2-ylamino)-N-[4-(diethylamino)-2-methylphenyl]pyridine-2-carboxamide
SMILESCCC(C)Nc1ccnc(C(=O)Nc2ccc(N(CC)CC)cc2C)c1
InChIInChI=1S/C21H30N4O/c1-6-16(5)23-17-11-12-22-20(14-17)21(26)24-19-10-9-18(13-15(19)4)25(7-2)8-3/h9-14,16H,6-8H2,1-5H3,(H,22,23)(H,24,26)
InChIKeyJWHGNPVRDVMANW-UHFFFAOYSA-N
XLogP4.70
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.50
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[4-(diethylamino)-2-methylphenyl]-4-(2-methylpropylamino)pyridine-2-carboxamide
CID 109203222
4-(cyclohexylamino)-N-[4-(diethylamino)-2-methylphenyl]pyridine-2-carboxamide
CID 109205057
2-N-[4-(diethylamino)-2-methylphenyl]-4-N-(2-methylpropyl)pyridine-2,4-dicarboxamide
CID 109079739
4-(butan-2-ylamino)-N-(2,4-difluorophenyl)pyridine-2-carboxamide
CID 109203590
4-(diethylamino)-N-(2,4-dimethylphenyl)pyridine-2-carboxamide
CID 109216518
N-[4-(diethylamino)-2-methylphenyl]-4-(pyridin-3-ylmethylamino)pyridine-2-carboxamide
CID 109213230
4-(butan-2-ylamino)-N-phenylpyridine-2-carboxamide
CID 109203508
N-[4-(diethylamino)-2-methylphenyl]-2-(3-methylbutylamino)pyrimidine-4-carboxamide
CID 109311841
4-(butan-2-ylamino)-N-(2-chloro-4,6-dimethylphenyl)pyridine-2-carboxamide
CID 109203542
N-cyclopropyl-4-[4-(diethylamino)-2-methylanilino]pyridine-2-carboxamide
CID 109201867
N-(3-acetamidophenyl)-4-(butan-2-ylamino)pyridine-2-carboxamide
CID 109203563
4-(butan-2-ylamino)-N-(2,6-dichlorophenyl)pyridine-2-carboxamide
CID 109203600

Frequently Asked Questions

What is the IUPAC name of 4-(butan-2-ylamino)-N-[4-(diethylamino)-2-methylphenyl]pyridine-2-carboxamide?
The IUPAC name of 4-(butan-2-ylamino)-N-[4-(diethylamino)-2-methylphenyl]pyridine-2-carboxamide (CID 109203604) is 4-(butan-2-ylamino)-N-[4-(diethylamino)-2-methylphenyl]pyridine-2-carboxamide.
What is the SMILES notation for 4-(butan-2-ylamino)-N-[4-(diethylamino)-2-methylphenyl]pyridine-2-carboxamide?
The canonical SMILES for 4-(butan-2-ylamino)-N-[4-(diethylamino)-2-methylphenyl]pyridine-2-carboxamide is CCC(C)Nc1ccnc(C(=O)Nc2ccc(N(CC)CC)cc2C)c1.
What is the InChIKey of 4-(butan-2-ylamino)-N-[4-(diethylamino)-2-methylphenyl]pyridine-2-carboxamide?
The InChIKey is JWHGNPVRDVMANW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O/c1-6-16(5)23-17-11-12-22-20(14-17)21(26)24-19-10-9-18(13-15(19)4)25(7-2)8-3/h9-14,16H,6-8H2,1-5H3,(H,22,23)(H,24,26).
What are the key properties of 4-(butan-2-ylamino)-N-[4-(diethylamino)-2-methylphenyl]pyridine-2-carboxamide?
4-(butan-2-ylamino)-N-[4-(diethylamino)-2-methylphenyl]pyridine-2-carboxamide has a molecular weight of 354.50 g/mol, XLogP of 4.70, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(butan-2-ylamino)-N-[4-(diethylamino)-2-methylphenyl]pyridine-2-carboxamide is sourced from PubChem (CID 109203604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).