N-cycloheptyl-4-[3-(dimethylamino)propylamino]pyridine-2-carboxamide

C18H30N4O — CID 109207939

IUPACN-cycloheptyl-4-[3-(dimethylamino)propylamino]pyridine-2-carboxamide
SMILESCN(C)CCCNc1ccnc(C(=O)NC2CCCCCC2)c1
InChIInChI=1S/C18H30N4O/c1-22(2)13-7-11-19-16-10-12-20-17(14-16)18(23)21-15-8-5-3-4-6-9-15/h10,12,14-15H,3-9,11,13H2,1-2H3,(H,19,20)(H,21,23)
InChIKeyHDTQCDQGVYZIIY-UHFFFAOYSA-N
MW318.46 g/mol
LogP2.90
Rot. Bonds7

About N-cycloheptyl-4-[3-(dimethylamino)propylamino]pyridine-2-carboxamide

N-cycloheptyl-4-[3-(dimethylamino)propylamino]pyridine-2-carboxamide (PubChem CID 109207939) has the molecular formula C18H30N4O and a molecular weight of 318.46 g/mol. Its IUPAC name is N-cycloheptyl-4-[3-(dimethylamino)propylamino]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-4-[3-(dimethylamino)propylamino]pyridine-2-carboxamide
PubChem CID109207939
Molecular FormulaC18H30N4O
Molecular Weight318.46 g/mol
Exact Mass318.24
IUPAC NameN-cycloheptyl-4-[3-(dimethylamino)propylamino]pyridine-2-carboxamide
SMILESCN(C)CCCNc1ccnc(C(=O)NC2CCCCCC2)c1
InChIInChI=1S/C18H30N4O/c1-22(2)13-7-11-19-16-10-12-20-17(14-16)18(23)21-15-8-5-3-4-6-9-15/h10,12,14-15H,3-9,11,13H2,1-2H3,(H,19,20)(H,21,23)
InChIKeyHDTQCDQGVYZIIY-UHFFFAOYSA-N
XLogP2.90
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-cyclohexyl-4-(ethylamino)pyridine-2-carboxamide
CID 62171612
4-[2-(dimethylamino)ethylamino]-N-[3-(dimethylamino)propyl]pyridine-2-carboxamide
CID 109207266
4-[3-(dimethylamino)propylamino]pyridine-2-carboxylic acid
CID 43143056
N-cyclopropyl-4-(3-methoxypropylamino)pyridine-2-carboxamide
CID 109201692
4-[3-[cyclohexyl(methyl)amino]propylamino]pyridine-2-carboxamide
CID 60980958
methyl 4-[3-(dimethylamino)propylamino]pyridine-2-carboxylate
CID 66284614
N-butan-2-yl-4-[3-(dimethylamino)propylamino]pyridine-2-carboxamide
CID 109203245
N-cycloheptyl-5-[3-(dimethylamino)propylamino]pyridine-3-carboxamide
CID 109229945
N-[4-(dimethylamino)phenyl]-4-[3-(dimethylamino)propylamino]pyridine-2-carboxamide
CID 109208013
N-cyclohexyl-4-[2-(4-methoxyphenoxy)ethylamino]pyridine-2-carboxamide
CID 109204797
N-cyclopropyl-2-[3-(dimethylamino)propylamino]pyrimidine-4-carboxamide
CID 109295730
N-cycloheptyl-4-hydrazinylpyridine-2-carboxamide
CID 62241897

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-4-[3-(dimethylamino)propylamino]pyridine-2-carboxamide?
The IUPAC name of N-cycloheptyl-4-[3-(dimethylamino)propylamino]pyridine-2-carboxamide (CID 109207939) is N-cycloheptyl-4-[3-(dimethylamino)propylamino]pyridine-2-carboxamide.
What is the SMILES notation for N-cycloheptyl-4-[3-(dimethylamino)propylamino]pyridine-2-carboxamide?
The canonical SMILES for N-cycloheptyl-4-[3-(dimethylamino)propylamino]pyridine-2-carboxamide is CN(C)CCCNc1ccnc(C(=O)NC2CCCCCC2)c1.
What is the InChIKey of N-cycloheptyl-4-[3-(dimethylamino)propylamino]pyridine-2-carboxamide?
The InChIKey is HDTQCDQGVYZIIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O/c1-22(2)13-7-11-19-16-10-12-20-17(14-16)18(23)21-15-8-5-3-4-6-9-15/h10,12,14-15H,3-9,11,13H2,1-2H3,(H,19,20)(H,21,23).
What are the key properties of N-cycloheptyl-4-[3-(dimethylamino)propylamino]pyridine-2-carboxamide?
N-cycloheptyl-4-[3-(dimethylamino)propylamino]pyridine-2-carboxamide has a molecular weight of 318.46 g/mol, XLogP of 2.90, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-4-[3-(dimethylamino)propylamino]pyridine-2-carboxamide is sourced from PubChem (CID 109207939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).