5-[3-(dimethylamino)propylamino]-N-[4-(4-methylpiperidin-1-yl)phenyl]pyridine-2-carboxamide

C23H33N5O — CID 109186215

IUPAC5-[3-(dimethylamino)propylamino]-N-[4-(4-methylpiperidin-1-yl)phenyl]pyridine-2-carboxamide
SMILESCC1CCN(c2ccc(NC(=O)c3ccc(NCCCN(C)C)cn3)cc2)CC1
InChIInChI=1S/C23H33N5O/c1-18-11-15-28(16-12-18)21-8-5-19(6-9-21)26-23(29)22-10-7-20(17-25-22)24-13-4-14-27(2)3/h5-10,17-18,24H,4,11-16H2,1-3H3,(H,26,29)
InChIKeyTXZNVNQRJKEESJ-UHFFFAOYSA-N
MW395.55 g/mol
LogP3.93
Rot. Bonds8

About 5-[3-(dimethylamino)propylamino]-N-[4-(4-methylpiperidin-1-yl)phenyl]pyridine-2-carboxamide

5-[3-(dimethylamino)propylamino]-N-[4-(4-methylpiperidin-1-yl)phenyl]pyridine-2-carboxamide (PubChem CID 109186215) has the molecular formula C23H33N5O and a molecular weight of 395.55 g/mol. Its IUPAC name is 5-[3-(dimethylamino)propylamino]-N-[4-(4-methylpiperidin-1-yl)phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-[3-(dimethylamino)propylamino]-N-[4-(4-methylpiperidin-1-yl)phenyl]pyridine-2-carboxamide
PubChem CID109186215
Molecular FormulaC23H33N5O
Molecular Weight395.55 g/mol
Exact Mass395.27
IUPAC Name5-[3-(dimethylamino)propylamino]-N-[4-(4-methylpiperidin-1-yl)phenyl]pyridine-2-carboxamide
SMILESCC1CCN(c2ccc(NC(=O)c3ccc(NCCCN(C)C)cn3)cc2)CC1
InChIInChI=1S/C23H33N5O/c1-18-11-15-28(16-12-18)21-8-5-19(6-9-21)26-23(29)22-10-7-20(17-25-22)24-13-4-14-27(2)3/h5-10,17-18,24H,4,11-16H2,1-3H3,(H,26,29)
InChIKeyTXZNVNQRJKEESJ-UHFFFAOYSA-N
XLogP3.93
TPSA60.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.55
LogP ≤ 53.93
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

5-[3-(dimethylamino)propylamino]-N-(4-pyrrolidin-1-ylphenyl)pyrazine-2-carboxamide
CID 109278032
2-[3-(dimethylamino)propylamino]-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide
CID 108995156
N-(4-bromophenyl)-5-[3-(dimethylamino)propylamino]pyridine-2-carboxamide
CID 109186187
6-(butylamino)-N-[4-(4-methylpiperidin-1-yl)phenyl]pyridazine-3-carboxamide
CID 109110730
[5-[3-(dimethylamino)propylamino]-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone
CID 109186144
N-[4-(4-methylpiperazin-1-yl)phenyl]-5-(pentylamino)pyridine-2-carboxamide
CID 109195891
2-[3-(dimethylamino)propylamino]-N-(4-piperidin-1-ylphenyl)pyrimidine-5-carboxamide
CID 109253609
6-N-[3-(dimethylamino)propyl]-4-N-[4-(4-methylpiperidin-1-yl)phenyl]pyrimidine-4,6-diamine
CID 112857855
6-(3-methoxypropylamino)-N-[4-(4-methylpiperidin-1-yl)phenyl]pyrimidine-4-carboxamide
CID 109343244
N-[2-(dimethylamino)ethyl]-5-(4-pyrrolidin-1-ylanilino)pyridine-2-carboxamide
CID 109185416
N-[3-(dimethylamino)propyl]-5-(4-methylpiperidin-1-yl)pyrazine-2-carboxamide
CID 109275192
N-(3-chloro-4-fluorophenyl)-5-(4-methylpiperidin-1-yl)pyridine-2-carboxamide
CID 109183526

Frequently Asked Questions

What is the IUPAC name of 5-[3-(dimethylamino)propylamino]-N-[4-(4-methylpiperidin-1-yl)phenyl]pyridine-2-carboxamide?
The IUPAC name of 5-[3-(dimethylamino)propylamino]-N-[4-(4-methylpiperidin-1-yl)phenyl]pyridine-2-carboxamide (CID 109186215) is 5-[3-(dimethylamino)propylamino]-N-[4-(4-methylpiperidin-1-yl)phenyl]pyridine-2-carboxamide.
What is the SMILES notation for 5-[3-(dimethylamino)propylamino]-N-[4-(4-methylpiperidin-1-yl)phenyl]pyridine-2-carboxamide?
The canonical SMILES for 5-[3-(dimethylamino)propylamino]-N-[4-(4-methylpiperidin-1-yl)phenyl]pyridine-2-carboxamide is CC1CCN(c2ccc(NC(=O)c3ccc(NCCCN(C)C)cn3)cc2)CC1.
What is the InChIKey of 5-[3-(dimethylamino)propylamino]-N-[4-(4-methylpiperidin-1-yl)phenyl]pyridine-2-carboxamide?
The InChIKey is TXZNVNQRJKEESJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N5O/c1-18-11-15-28(16-12-18)21-8-5-19(6-9-21)26-23(29)22-10-7-20(17-25-22)24-13-4-14-27(2)3/h5-10,17-18,24H,4,11-16H2,1-3H3,(H,26,29).
What are the key properties of 5-[3-(dimethylamino)propylamino]-N-[4-(4-methylpiperidin-1-yl)phenyl]pyridine-2-carboxamide?
5-[3-(dimethylamino)propylamino]-N-[4-(4-methylpiperidin-1-yl)phenyl]pyridine-2-carboxamide has a molecular weight of 395.55 g/mol, XLogP of 3.93, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(dimethylamino)propylamino]-N-[4-(4-methylpiperidin-1-yl)phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 109186215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).