N-butyl-N-methyl-4-(4-piperidin-1-ylanilino)pyridine-2-carboxamide

C22H30N4O — CID 109217771

IUPACN-butyl-N-methyl-4-(4-piperidin-1-ylanilino)pyridine-2-carboxamide
SMILESCCCCN(C)C(=O)c1cc(Nc2ccc(N3CCCCC3)cc2)ccn1
InChIInChI=1S/C22H30N4O/c1-3-4-14-25(2)22(27)21-17-19(12-13-23-21)24-18-8-10-20(11-9-18)26-15-6-5-7-16-26/h8-13,17H,3-7,14-16H2,1-2H3,(H,23,24)
InChIKeyDSFOJAIXLDKMIV-UHFFFAOYSA-N
MW366.51 g/mol
LogP4.69
Rot. Bonds7

About N-butyl-N-methyl-4-(4-piperidin-1-ylanilino)pyridine-2-carboxamide

N-butyl-N-methyl-4-(4-piperidin-1-ylanilino)pyridine-2-carboxamide (PubChem CID 109217771) has the molecular formula C22H30N4O and a molecular weight of 366.51 g/mol. Its IUPAC name is N-butyl-N-methyl-4-(4-piperidin-1-ylanilino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-butyl-N-methyl-4-(4-piperidin-1-ylanilino)pyridine-2-carboxamide
PubChem CID109217771
Molecular FormulaC22H30N4O
Molecular Weight366.51 g/mol
Exact Mass366.24
IUPAC NameN-butyl-N-methyl-4-(4-piperidin-1-ylanilino)pyridine-2-carboxamide
SMILESCCCCN(C)C(=O)c1cc(Nc2ccc(N3CCCCC3)cc2)ccn1
InChIInChI=1S/C22H30N4O/c1-3-4-14-25(2)22(27)21-17-19(12-13-23-21)24-18-8-10-20(11-9-18)26-15-6-5-7-16-26/h8-13,17H,3-7,14-16H2,1-2H3,(H,23,24)
InChIKeyDSFOJAIXLDKMIV-UHFFFAOYSA-N
XLogP4.69
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 54.69
H-Bond Donors ≤ 51
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,N-dipropyl-4-(4-pyrrolidin-1-ylanilino)pyridine-2-carboxamide
CID 109218364
N-butyl-N-methyl-5-(4-pyrrolidin-1-ylanilino)pyrazine-2-carboxamide
CID 109288302
4-(4-pyrrolidin-1-ylanilino)pyridine-2-carboxylic acid
CID 63180412
N-butyl-N-methyl-4-(3-methylanilino)pyridine-2-carboxamide
CID 109217712
N-butan-2-yl-4-(4-piperidin-1-ylanilino)pyridine-2-carboxamide
CID 109203383
N-butyl-N-methyl-4-(propan-2-ylamino)pyridine-2-carboxamide
CID 109201563
N-butyl-N-methyl-5-pyrrolidin-1-ylpyridine-2-carboxamide
CID 109182041
azepan-1-yl-[4-(4-pyrrolidin-1-ylanilino)-2-pyridinyl]methanone
CID 109218598
N-propan-2-yl-4-(4-pyrrolidin-1-ylanilino)pyridine-2-carboxamide
CID 109201439
(4-methylpiperazin-1-yl)-[4-(4-piperidin-1-ylanilino)-2-pyridinyl]methanone
CID 109208189
N-butyl-4-(2,4-difluoroanilino)-N-methylpyridine-2-carboxamide
CID 109217787
N-butyl-N-methyl-4-(prop-2-enylamino)pyridine-2-carboxamide
CID 109202347

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-methyl-4-(4-piperidin-1-ylanilino)pyridine-2-carboxamide?
The IUPAC name of N-butyl-N-methyl-4-(4-piperidin-1-ylanilino)pyridine-2-carboxamide (CID 109217771) is N-butyl-N-methyl-4-(4-piperidin-1-ylanilino)pyridine-2-carboxamide.
What is the SMILES notation for N-butyl-N-methyl-4-(4-piperidin-1-ylanilino)pyridine-2-carboxamide?
The canonical SMILES for N-butyl-N-methyl-4-(4-piperidin-1-ylanilino)pyridine-2-carboxamide is CCCCN(C)C(=O)c1cc(Nc2ccc(N3CCCCC3)cc2)ccn1.
What is the InChIKey of N-butyl-N-methyl-4-(4-piperidin-1-ylanilino)pyridine-2-carboxamide?
The InChIKey is DSFOJAIXLDKMIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O/c1-3-4-14-25(2)22(27)21-17-19(12-13-23-21)24-18-8-10-20(11-9-18)26-15-6-5-7-16-26/h8-13,17H,3-7,14-16H2,1-2H3,(H,23,24).
What are the key properties of N-butyl-N-methyl-4-(4-piperidin-1-ylanilino)pyridine-2-carboxamide?
N-butyl-N-methyl-4-(4-piperidin-1-ylanilino)pyridine-2-carboxamide has a molecular weight of 366.51 g/mol, XLogP of 4.69, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-methyl-4-(4-piperidin-1-ylanilino)pyridine-2-carboxamide is sourced from PubChem (CID 109217771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).