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

C22H30N4O2 — CID 109167109

IUPACN-(3-methoxypropyl)-2-[4-(4-methylpiperidin-1-yl)anilino]pyridine-4-carboxamide
SMILESCOCCCNC(=O)c1ccnc(Nc2ccc(N3CCC(C)CC3)cc2)c1
InChIInChI=1S/C22H30N4O2/c1-17-9-13-26(14-10-17)20-6-4-19(5-7-20)25-21-16-18(8-12-23-21)22(27)24-11-3-15-28-2/h4-8,12,16-17H,3,9-11,13-15H2,1-2H3,(H,23,25)(H,24,27)
InChIKeyILGYYGZIEOHXML-UHFFFAOYSA-N
MW382.51 g/mol
LogP3.83
Rot. Bonds8

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

N-(3-methoxypropyl)-2-[4-(4-methylpiperidin-1-yl)anilino]pyridine-4-carboxamide (PubChem CID 109167109) has the molecular formula C22H30N4O2 and a molecular weight of 382.51 g/mol. Its IUPAC name is N-(3-methoxypropyl)-2-[4-(4-methylpiperidin-1-yl)anilino]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-2-[4-(4-methylpiperidin-1-yl)anilino]pyridine-4-carboxamide
PubChem CID109167109
Molecular FormulaC22H30N4O2
Molecular Weight382.51 g/mol
Exact Mass382.24
IUPAC NameN-(3-methoxypropyl)-2-[4-(4-methylpiperidin-1-yl)anilino]pyridine-4-carboxamide
SMILESCOCCCNC(=O)c1ccnc(Nc2ccc(N3CCC(C)CC3)cc2)c1
InChIInChI=1S/C22H30N4O2/c1-17-9-13-26(14-10-17)20-6-4-19(5-7-20)25-21-16-18(8-12-23-21)22(27)24-11-3-15-28-2/h4-8,12,16-17H,3,9-11,13-15H2,1-2H3,(H,23,25)(H,24,27)
InChIKeyILGYYGZIEOHXML-UHFFFAOYSA-N
XLogP3.83
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(3,4-dimethylanilino)-N-(3-methoxypropyl)pyridine-4-carboxamide
CID 109167052
N-(2-methoxyethyl)-2-[4-(4-methylpiperidin-1-yl)anilino]pyrimidine-5-carboxamide
CID 109251444
1-(3-methoxypropyl)-3-[4-(4-methylpiperidin-1-yl)phenyl]urea
CID 108988147
4-N-butyl-2-N-[4-(4-methylpiperidin-1-yl)phenyl]pyridine-2,4-dicarboxamide
CID 109079331
N-(2-methoxyethyl)-2-[4-(4-methylpiperidin-1-yl)anilino]pyrimidine-4-carboxamide
CID 109299931
N-(3-methoxypropyl)-5-(4-methylpiperidin-1-yl)pyridine-2-carboxamide
CID 109183419
2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-(3-methoxypropyl)pyridine-4-carboxamide
CID 109167122
N-[2-(dimethylamino)ethyl]-2-[4-(4-methylpiperazin-1-yl)anilino]pyridine-4-carboxamide
CID 109167751
N-(3-methoxypropyl)-2-(3-methylanilino)pyridine-4-carboxamide
CID 109167047
2-(3-fluoroanilino)-N-(3-methoxypropyl)pyridine-4-carboxamide
CID 109167115
N-cyclopropyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyridine-4-carboxamide
CID 109165227
N-(2-phenylethyl)-2-(4-pyrrolidin-1-ylanilino)pyridine-4-carboxamide
CID 109172228

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-2-[4-(4-methylpiperidin-1-yl)anilino]pyridine-4-carboxamide?
The IUPAC name of N-(3-methoxypropyl)-2-[4-(4-methylpiperidin-1-yl)anilino]pyridine-4-carboxamide (CID 109167109) is N-(3-methoxypropyl)-2-[4-(4-methylpiperidin-1-yl)anilino]pyridine-4-carboxamide.
What is the SMILES notation for N-(3-methoxypropyl)-2-[4-(4-methylpiperidin-1-yl)anilino]pyridine-4-carboxamide?
The canonical SMILES for N-(3-methoxypropyl)-2-[4-(4-methylpiperidin-1-yl)anilino]pyridine-4-carboxamide is COCCCNC(=O)c1ccnc(Nc2ccc(N3CCC(C)CC3)cc2)c1.
What is the InChIKey of N-(3-methoxypropyl)-2-[4-(4-methylpiperidin-1-yl)anilino]pyridine-4-carboxamide?
The InChIKey is ILGYYGZIEOHXML-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O2/c1-17-9-13-26(14-10-17)20-6-4-19(5-7-20)25-21-16-18(8-12-23-21)22(27)24-11-3-15-28-2/h4-8,12,16-17H,3,9-11,13-15H2,1-2H3,(H,23,25)(H,24,27).
What are the key properties of N-(3-methoxypropyl)-2-[4-(4-methylpiperidin-1-yl)anilino]pyridine-4-carboxamide?
N-(3-methoxypropyl)-2-[4-(4-methylpiperidin-1-yl)anilino]pyridine-4-carboxamide has a molecular weight of 382.51 g/mol, XLogP of 3.83, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-2-[4-(4-methylpiperidin-1-yl)anilino]pyridine-4-carboxamide is sourced from PubChem (CID 109167109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).