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

C15H26N4O — CID 109203245

IUPACN-butan-2-yl-4-[3-(dimethylamino)propylamino]pyridine-2-carboxamide
SMILESCCC(C)NC(=O)c1cc(NCCCN(C)C)ccn1
InChIInChI=1S/C15H26N4O/c1-5-12(2)18-15(20)14-11-13(7-9-17-14)16-8-6-10-19(3)4/h7,9,11-12H,5-6,8,10H2,1-4H3,(H,16,17)(H,18,20)
InChIKeyTUSTZBDANWQKQK-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.97
Rot. Bonds8

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

N-butan-2-yl-4-[3-(dimethylamino)propylamino]pyridine-2-carboxamide (PubChem CID 109203245) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is N-butan-2-yl-4-[3-(dimethylamino)propylamino]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-4-[3-(dimethylamino)propylamino]pyridine-2-carboxamide
PubChem CID109203245
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC NameN-butan-2-yl-4-[3-(dimethylamino)propylamino]pyridine-2-carboxamide
SMILESCCC(C)NC(=O)c1cc(NCCCN(C)C)ccn1
InChIInChI=1S/C15H26N4O/c1-5-12(2)18-15(20)14-11-13(7-9-17-14)16-8-6-10-19(3)4/h7,9,11-12H,5-6,8,10H2,1-4H3,(H,16,17)(H,18,20)
InChIKeyTUSTZBDANWQKQK-UHFFFAOYSA-N
XLogP1.97
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.97
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-butan-2-yl-4-(butylamino)pyridine-2-carboxamide
CID 109202657
N-butan-2-yl-4-(ethylamino)pyridine-2-carboxamide
CID 62171647
4-[3-(dimethylamino)propylamino]pyridine-2-carboxylic acid
CID 43143056
N-[4-(dimethylamino)butan-2-yl]-4-(ethylamino)pyridine-2-carboxamide
CID 55046863
4-[2-(dimethylamino)ethylamino]-N-[3-(dimethylamino)propyl]pyridine-2-carboxamide
CID 109207266
N-butan-2-yl-4-(2-phenylethylamino)pyridine-2-carboxamide
CID 109203268
N-pentan-2-yl-4-(propylamino)pyridine-2-carboxamide
CID 62185598
methyl 4-[3-(dimethylamino)propylamino]pyridine-2-carboxylate
CID 66284614
N-cycloheptyl-4-[3-(dimethylamino)propylamino]pyridine-2-carboxamide
CID 109207939
N-[4-(dimethylamino)phenyl]-4-[3-(dimethylamino)propylamino]pyridine-2-carboxamide
CID 109208013
4-[3-(dimethylamino)propylamino]-N-[(4-fluorophenyl)methyl]pyridine-2-carboxamide
CID 109207899
N-[3-(dimethylamino)propyl]-4-(3-phenylpropylamino)pyridine-2-carboxamide
CID 109207769

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-4-[3-(dimethylamino)propylamino]pyridine-2-carboxamide?
The IUPAC name of N-butan-2-yl-4-[3-(dimethylamino)propylamino]pyridine-2-carboxamide (CID 109203245) is N-butan-2-yl-4-[3-(dimethylamino)propylamino]pyridine-2-carboxamide.
What is the SMILES notation for N-butan-2-yl-4-[3-(dimethylamino)propylamino]pyridine-2-carboxamide?
The canonical SMILES for N-butan-2-yl-4-[3-(dimethylamino)propylamino]pyridine-2-carboxamide is CCC(C)NC(=O)c1cc(NCCCN(C)C)ccn1.
What is the InChIKey of N-butan-2-yl-4-[3-(dimethylamino)propylamino]pyridine-2-carboxamide?
The InChIKey is TUSTZBDANWQKQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-5-12(2)18-15(20)14-11-13(7-9-17-14)16-8-6-10-19(3)4/h7,9,11-12H,5-6,8,10H2,1-4H3,(H,16,17)(H,18,20).
What are the key properties of N-butan-2-yl-4-[3-(dimethylamino)propylamino]pyridine-2-carboxamide?
N-butan-2-yl-4-[3-(dimethylamino)propylamino]pyridine-2-carboxamide has a molecular weight of 278.40 g/mol, XLogP of 1.97, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-4-[3-(dimethylamino)propylamino]pyridine-2-carboxamide is sourced from PubChem (CID 109203245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).