N-butan-2-yl-4-(4-piperidin-1-ylanilino)pyridine-2-carboxamide

C21H28N4O — CID 109203383

IUPACN-butan-2-yl-4-(4-piperidin-1-ylanilino)pyridine-2-carboxamide
SMILESCCC(C)NC(=O)c1cc(Nc2ccc(N3CCCCC3)cc2)ccn1
InChIInChI=1S/C21H28N4O/c1-3-16(2)23-21(26)20-15-18(11-12-22-20)24-17-7-9-19(10-8-17)25-13-5-4-6-14-25/h7-12,15-16H,3-6,13-14H2,1-2H3,(H,22,24)(H,23,26)
InChIKeySZNWKTSEYYKENE-UHFFFAOYSA-N
MW352.48 g/mol
LogP4.34
Rot. Bonds6

About N-butan-2-yl-4-(4-piperidin-1-ylanilino)pyridine-2-carboxamide

N-butan-2-yl-4-(4-piperidin-1-ylanilino)pyridine-2-carboxamide (PubChem CID 109203383) has the molecular formula C21H28N4O and a molecular weight of 352.48 g/mol. Its IUPAC name is N-butan-2-yl-4-(4-piperidin-1-ylanilino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-4-(4-piperidin-1-ylanilino)pyridine-2-carboxamide
PubChem CID109203383
Molecular FormulaC21H28N4O
Molecular Weight352.48 g/mol
Exact Mass352.23
IUPAC NameN-butan-2-yl-4-(4-piperidin-1-ylanilino)pyridine-2-carboxamide
SMILESCCC(C)NC(=O)c1cc(Nc2ccc(N3CCCCC3)cc2)ccn1
InChIInChI=1S/C21H28N4O/c1-3-16(2)23-21(26)20-15-18(11-12-22-20)24-17-7-9-19(10-8-17)25-13-5-4-6-14-25/h7-12,15-16H,3-6,13-14H2,1-2H3,(H,22,24)(H,23,26)
InChIKeySZNWKTSEYYKENE-UHFFFAOYSA-N
XLogP4.34
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 54.34
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-propan-2-yl-4-(4-pyrrolidin-1-ylanilino)pyridine-2-carboxamide
CID 109201439
N-butan-2-yl-4-(4-propan-2-ylanilino)pyridine-2-carboxamide
CID 109203336
4-anilino-N-butan-2-ylpyridine-2-carboxamide
CID 109203318
N-butan-2-yl-5-(4-piperidin-1-ylanilino)pyrazine-2-carboxamide
CID 109273265
4-(4-pyrrolidin-1-ylanilino)pyridine-2-carboxylic acid
CID 63180412
N-butan-2-yl-4-(4-methoxyanilino)pyridine-2-carboxamide
CID 109203359
azepan-1-yl-[4-(4-pyrrolidin-1-ylanilino)-2-pyridinyl]methanone
CID 109218598
N,N-dipropyl-4-(4-pyrrolidin-1-ylanilino)pyridine-2-carboxamide
CID 109218364
N-butyl-N-methyl-4-(4-piperidin-1-ylanilino)pyridine-2-carboxamide
CID 109217771
(4-methylpiperazin-1-yl)-[4-(4-piperidin-1-ylanilino)-2-pyridinyl]methanone
CID 109208189
N-butan-2-yl-4-(ethylamino)pyridine-2-carboxamide
CID 62171647
5-(4-piperidin-1-ylanilino)-N-propan-2-ylpyridine-2-carboxamide
CID 109179591

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-4-(4-piperidin-1-ylanilino)pyridine-2-carboxamide?
The IUPAC name of N-butan-2-yl-4-(4-piperidin-1-ylanilino)pyridine-2-carboxamide (CID 109203383) is N-butan-2-yl-4-(4-piperidin-1-ylanilino)pyridine-2-carboxamide.
What is the SMILES notation for N-butan-2-yl-4-(4-piperidin-1-ylanilino)pyridine-2-carboxamide?
The canonical SMILES for N-butan-2-yl-4-(4-piperidin-1-ylanilino)pyridine-2-carboxamide is CCC(C)NC(=O)c1cc(Nc2ccc(N3CCCCC3)cc2)ccn1.
What is the InChIKey of N-butan-2-yl-4-(4-piperidin-1-ylanilino)pyridine-2-carboxamide?
The InChIKey is SZNWKTSEYYKENE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O/c1-3-16(2)23-21(26)20-15-18(11-12-22-20)24-17-7-9-19(10-8-17)25-13-5-4-6-14-25/h7-12,15-16H,3-6,13-14H2,1-2H3,(H,22,24)(H,23,26).
What are the key properties of N-butan-2-yl-4-(4-piperidin-1-ylanilino)pyridine-2-carboxamide?
N-butan-2-yl-4-(4-piperidin-1-ylanilino)pyridine-2-carboxamide has a molecular weight of 352.48 g/mol, XLogP of 4.34, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-4-(4-piperidin-1-ylanilino)pyridine-2-carboxamide is sourced from PubChem (CID 109203383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).