N-(cyclopropylmethyl)-N-ethyl-3-(methylamino)pyridine-4-carboxamide

C13H19N3O — CID 105070225

IUPACN-(cyclopropylmethyl)-N-ethyl-3-(methylamino)pyridine-4-carboxamide
SMILESCCN(CC1CC1)C(=O)c1ccncc1NC
InChIInChI=1S/C13H19N3O/c1-3-16(9-10-4-5-10)13(17)11-6-7-15-8-12(11)14-2/h6-8,10,14H,3-5,9H2,1-2H3
InChIKeyXMTSLFGEWYEZOI-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.00
Rot. Bonds5

About N-(cyclopropylmethyl)-N-ethyl-3-(methylamino)pyridine-4-carboxamide

N-(cyclopropylmethyl)-N-ethyl-3-(methylamino)pyridine-4-carboxamide (PubChem CID 105070225) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-N-ethyl-3-(methylamino)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-N-ethyl-3-(methylamino)pyridine-4-carboxamide
PubChem CID105070225
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC NameN-(cyclopropylmethyl)-N-ethyl-3-(methylamino)pyridine-4-carboxamide
SMILESCCN(CC1CC1)C(=O)c1ccncc1NC
InChIInChI=1S/C13H19N3O/c1-3-16(9-10-4-5-10)13(17)11-6-7-15-8-12(11)14-2/h6-8,10,14H,3-5,9H2,1-2H3
InChIKeyXMTSLFGEWYEZOI-UHFFFAOYSA-N
XLogP2.00
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-Ethylnicotinamide
CID 78007
3H,4H-pyrido(3,4-d)pyrimidin-4-one
CID 135567106
N-(3-Pyridyl)nicotinamide
CID 202725
Kdoam-25
CID 91810435
N,N-Diethylisonicotinamide
CID 10735
Nicodicosapent
CID 50991753
N-(1-methylpiperidin-4-yl)pyridine-4-carboxamide
CID 1247370
N-(cyclohexylmethyl)nicotinamide
CID 2990659
1-(Pyridine-4-carbonyl)piperazine
CID 876553
SG 1842
CID 571799
Kdoam-28
CID 126961672
N-(2-Amino-phenyl)-nicotinamide
CID 1133083

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-N-ethyl-3-(methylamino)pyridine-4-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-N-ethyl-3-(methylamino)pyridine-4-carboxamide (CID 105070225) is N-(cyclopropylmethyl)-N-ethyl-3-(methylamino)pyridine-4-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-N-ethyl-3-(methylamino)pyridine-4-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-N-ethyl-3-(methylamino)pyridine-4-carboxamide is CCN(CC1CC1)C(=O)c1ccncc1NC.
What is the InChIKey of N-(cyclopropylmethyl)-N-ethyl-3-(methylamino)pyridine-4-carboxamide?
The InChIKey is XMTSLFGEWYEZOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-3-16(9-10-4-5-10)13(17)11-6-7-15-8-12(11)14-2/h6-8,10,14H,3-5,9H2,1-2H3.
What are the key properties of N-(cyclopropylmethyl)-N-ethyl-3-(methylamino)pyridine-4-carboxamide?
N-(cyclopropylmethyl)-N-ethyl-3-(methylamino)pyridine-4-carboxamide has a molecular weight of 233.31 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-N-ethyl-3-(methylamino)pyridine-4-carboxamide is sourced from PubChem (CID 105070225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).