2-amino-N-(2-cyanopropyl)-N-ethylpyridine-3-carboxamide

C12H16N4O — CID 62186486

IUPAC2-amino-N-(2-cyanopropyl)-N-ethylpyridine-3-carboxamide
SMILESCCN(CC(C)C#N)C(=O)c1cccnc1N
InChIInChI=1S/C12H16N4O/c1-3-16(8-9(2)7-13)12(17)10-5-4-6-15-11(10)14/h4-6,9H,3,8H2,1-2H3,(H2,14,15)
InChIKeyCDRXCGMWOWCQPP-UHFFFAOYSA-N
MW232.29 g/mol
LogP1.29
Rot. Bonds4

About 2-amino-N-(2-cyanopropyl)-N-ethylpyridine-3-carboxamide

2-amino-N-(2-cyanopropyl)-N-ethylpyridine-3-carboxamide (PubChem CID 62186486) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is 2-amino-N-(2-cyanopropyl)-N-ethylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-amino-N-(2-cyanopropyl)-N-ethylpyridine-3-carboxamide
PubChem CID62186486
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC Name2-amino-N-(2-cyanopropyl)-N-ethylpyridine-3-carboxamide
SMILESCCN(CC(C)C#N)C(=O)c1cccnc1N
InChIInChI=1S/C12H16N4O/c1-3-16(8-9(2)7-13)12(17)10-5-4-6-15-11(10)14/h4-6,9H,3,8H2,1-2H3,(H2,14,15)
InChIKeyCDRXCGMWOWCQPP-UHFFFAOYSA-N
XLogP1.29
TPSA83.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-N-(2-cyanopropyl)-N-ethylpyridine-3-carboxamide
CID 113255171
N-(2-cyanopropyl)-N-ethyl-2-hydrazinylpyridine-3-carboxamide
CID 62247908
N-[(2R)-2-cyanopropyl]-N-ethyl-2-(2-methoxyethoxy)pyridine-3-carboxamide
CID 95276539
2-amino-N-(2-cyanoethyl)-N-ethylpyridine-3-carboxamide
CID 62161601
5-chloro-N-[(2R)-2-cyanopropyl]-N-ethylquinoline-8-carboxamide
CID 95281732
N-(2-cyanopropyl)-N-ethyl-2,3-dihydroxybenzamide
CID 114343549
2-amino-N,N-bis(cyanomethyl)pyridine-3-carboxamide
CID 62152670
2-amino-5-bromo-N-(2-cyanopropyl)-N-ethylpyridine-4-carboxamide
CID 114193919
4-amino-2-chloro-N-(2-cyanopropyl)-N-ethylbenzamide
CID 61110331
3-chloro-N-(2-cyanopropyl)-N-ethylpyridine-4-carboxamide
CID 66463593
2-amino-N-[2-(dimethylamino)ethyl]-N-propylpyridine-3-carboxamide
CID 62161459
2-amino-N-methyl-N-(3-methylbutyl)pyridine-3-carboxamide
CID 62185668

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-cyanopropyl)-N-ethylpyridine-3-carboxamide?
The IUPAC name of 2-amino-N-(2-cyanopropyl)-N-ethylpyridine-3-carboxamide (CID 62186486) is 2-amino-N-(2-cyanopropyl)-N-ethylpyridine-3-carboxamide.
What is the SMILES notation for 2-amino-N-(2-cyanopropyl)-N-ethylpyridine-3-carboxamide?
The canonical SMILES for 2-amino-N-(2-cyanopropyl)-N-ethylpyridine-3-carboxamide is CCN(CC(C)C#N)C(=O)c1cccnc1N.
What is the InChIKey of 2-amino-N-(2-cyanopropyl)-N-ethylpyridine-3-carboxamide?
The InChIKey is CDRXCGMWOWCQPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c1-3-16(8-9(2)7-13)12(17)10-5-4-6-15-11(10)14/h4-6,9H,3,8H2,1-2H3,(H2,14,15).
What are the key properties of 2-amino-N-(2-cyanopropyl)-N-ethylpyridine-3-carboxamide?
2-amino-N-(2-cyanopropyl)-N-ethylpyridine-3-carboxamide has a molecular weight of 232.29 g/mol, XLogP of 1.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-cyanopropyl)-N-ethylpyridine-3-carboxamide is sourced from PubChem (CID 62186486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).