N-butan-2-yl-5-[4-(4-methylpiperidin-1-yl)anilino]pyridine-3-carboxamide

C22H30N4O — CID 109225266

IUPACN-butan-2-yl-5-[4-(4-methylpiperidin-1-yl)anilino]pyridine-3-carboxamide
SMILESCCC(C)NC(=O)c1cncc(Nc2ccc(N3CCC(C)CC3)cc2)c1
InChIInChI=1S/C22H30N4O/c1-4-17(3)24-22(27)18-13-20(15-23-14-18)25-19-5-7-21(8-6-19)26-11-9-16(2)10-12-26/h5-8,13-17,25H,4,9-12H2,1-3H3,(H,24,27)
InChIKeyIKZDDUKGRAVHLZ-UHFFFAOYSA-N
MW366.51 g/mol
LogP4.59
Rot. Bonds6

About N-butan-2-yl-5-[4-(4-methylpiperidin-1-yl)anilino]pyridine-3-carboxamide

N-butan-2-yl-5-[4-(4-methylpiperidin-1-yl)anilino]pyridine-3-carboxamide (PubChem CID 109225266) has the molecular formula C22H30N4O and a molecular weight of 366.51 g/mol. Its IUPAC name is N-butan-2-yl-5-[4-(4-methylpiperidin-1-yl)anilino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-5-[4-(4-methylpiperidin-1-yl)anilino]pyridine-3-carboxamide
PubChem CID109225266
Molecular FormulaC22H30N4O
Molecular Weight366.51 g/mol
Exact Mass366.24
IUPAC NameN-butan-2-yl-5-[4-(4-methylpiperidin-1-yl)anilino]pyridine-3-carboxamide
SMILESCCC(C)NC(=O)c1cncc(Nc2ccc(N3CCC(C)CC3)cc2)c1
InChIInChI=1S/C22H30N4O/c1-4-17(3)24-22(27)18-13-20(15-23-14-18)25-19-5-7-21(8-6-19)26-11-9-16(2)10-12-26/h5-8,13-17,25H,4,9-12H2,1-3H3,(H,24,27)
InChIKeyIKZDDUKGRAVHLZ-UHFFFAOYSA-N
XLogP4.59
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 54.59
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

3-N-butan-2-yl-1-N-[4-(4-methylpiperidin-1-yl)phenyl]benzene-1,3-dicarboxamide
CID 109051577
[5-[4-(4-methylpiperidin-1-yl)anilino]-3-pyridinyl]-piperidin-1-ylmethanone
CID 109226403
(4-methylpiperidin-1-yl)-[5-(4-pyrrolidin-1-ylanilino)-3-pyridinyl]methanone
CID 109227138
N-butan-2-yl-5-(4-cyanoanilino)pyridine-3-carboxamide
CID 109225300
N-butan-2-yl-5-(3-chloro-4-methylanilino)pyridine-3-carboxamide
CID 109225232
N-[4-(4-methylpiperidin-1-yl)phenyl]-5-(prop-2-enylamino)pyridine-3-carboxamide
CID 109224298
N-butan-2-yl-5-(3,5-dichloroanilino)pyridine-3-carboxamide
CID 109225291
5-[4-(4-methylpiperazin-1-yl)anilino]-N-propylpyridine-3-carboxamide
CID 109222918
N-butan-2-yl-5-morpholin-4-ylpyridine-3-carboxamide
CID 109225123
N-butan-2-yl-5-(2,4,6-trimethylanilino)pyridine-3-carboxamide
CID 109225219
(3-methylpiperidin-1-yl)-[5-(4-piperidin-1-ylanilino)-3-pyridinyl]methanone
CID 109240763
N-(3-methylbutyl)-5-[4-(4-methylpiperazin-1-yl)anilino]pyridine-3-carboxamide
CID 109239859

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-5-[4-(4-methylpiperidin-1-yl)anilino]pyridine-3-carboxamide?
The IUPAC name of N-butan-2-yl-5-[4-(4-methylpiperidin-1-yl)anilino]pyridine-3-carboxamide (CID 109225266) is N-butan-2-yl-5-[4-(4-methylpiperidin-1-yl)anilino]pyridine-3-carboxamide.
What is the SMILES notation for N-butan-2-yl-5-[4-(4-methylpiperidin-1-yl)anilino]pyridine-3-carboxamide?
The canonical SMILES for N-butan-2-yl-5-[4-(4-methylpiperidin-1-yl)anilino]pyridine-3-carboxamide is CCC(C)NC(=O)c1cncc(Nc2ccc(N3CCC(C)CC3)cc2)c1.
What is the InChIKey of N-butan-2-yl-5-[4-(4-methylpiperidin-1-yl)anilino]pyridine-3-carboxamide?
The InChIKey is IKZDDUKGRAVHLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O/c1-4-17(3)24-22(27)18-13-20(15-23-14-18)25-19-5-7-21(8-6-19)26-11-9-16(2)10-12-26/h5-8,13-17,25H,4,9-12H2,1-3H3,(H,24,27).
What are the key properties of N-butan-2-yl-5-[4-(4-methylpiperidin-1-yl)anilino]pyridine-3-carboxamide?
N-butan-2-yl-5-[4-(4-methylpiperidin-1-yl)anilino]pyridine-3-carboxamide has a molecular weight of 366.51 g/mol, XLogP of 4.59, 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-5-[4-(4-methylpiperidin-1-yl)anilino]pyridine-3-carboxamide is sourced from PubChem (CID 109225266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).