N-[(2R)-2-cyanopropyl]-N-ethyl-2-(2-methoxyethoxy)pyridine-3-carboxamide

C15H21N3O3 — CID 95276539

IUPACN-[(2R)-2-cyanopropyl]-N-ethyl-2-(2-methoxyethoxy)pyridine-3-carboxamide
SMILESCCN(C[C@@H](C)C#N)C(=O)c1cccnc1OCCOC
InChIInChI=1S/C15H21N3O3/c1-4-18(11-12(2)10-16)15(19)13-6-5-7-17-14(13)21-9-8-20-3/h5-7,12H,4,8-9,11H2,1-3H3/t12-/m0/s1
InChIKeyMKAGUKXAKPEQCX-LBPRGKRZSA-N
MW291.35 g/mol
LogP1.73
Rot. Bonds8

About N-[(2R)-2-cyanopropyl]-N-ethyl-2-(2-methoxyethoxy)pyridine-3-carboxamide

N-[(2R)-2-cyanopropyl]-N-ethyl-2-(2-methoxyethoxy)pyridine-3-carboxamide (PubChem CID 95276539) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is N-[(2R)-2-cyanopropyl]-N-ethyl-2-(2-methoxyethoxy)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-cyanopropyl]-N-ethyl-2-(2-methoxyethoxy)pyridine-3-carboxamide
PubChem CID95276539
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC NameN-[(2R)-2-cyanopropyl]-N-ethyl-2-(2-methoxyethoxy)pyridine-3-carboxamide
SMILESCCN(C[C@@H](C)C#N)C(=O)c1cccnc1OCCOC
InChIInChI=1S/C15H21N3O3/c1-4-18(11-12(2)10-16)15(19)13-6-5-7-17-14(13)21-9-8-20-3/h5-7,12H,4,8-9,11H2,1-3H3/t12-/m0/s1
InChIKeyMKAGUKXAKPEQCX-LBPRGKRZSA-N
XLogP1.73
TPSA75.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-(2-cyanopropyl)-N-ethylpyridine-3-carboxamide
CID 62186486
2-bromo-N-(2-cyanopropyl)-N-ethylpyridine-3-carboxamide
CID 113255171
N-(2-cyanopropyl)-N-ethyl-2-hydrazinylpyridine-3-carboxamide
CID 62247908
5-chloro-N-[(2R)-2-cyanopropyl]-N-ethylquinoline-8-carboxamide
CID 95281732
N-(3-amino-2-methylpropyl)-N-ethyl-2-methoxypyridine-3-carboxamide
CID 62874297
N-(2-cyanopropyl)-N-ethyl-2,3-dihydroxybenzamide
CID 114343549
N-(2-cyanoethyl)-N-ethyl-2-methoxypyridine-3-carboxamide
CID 62875482
3-chloro-N-(2-cyanopropyl)-N-ethylpyridine-4-carboxamide
CID 66463593
N-(2-cyanopropyl)-N-ethyl-2-methoxy-5-methylbenzamide
CID 62503366
5-chloro-N-(2-cyanopropyl)-N-ethyl-2-methoxybenzamide
CID 54988535
N,N-diethyl-2-(4-methoxyphenoxy)pyridine-3-carboxamide
CID 23767035
N-(2-cyanopropyl)-N-ethyl-3-fluoro-2-(propylamino)pyridine-4-carboxamide
CID 105385733

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-cyanopropyl]-N-ethyl-2-(2-methoxyethoxy)pyridine-3-carboxamide?
The IUPAC name of N-[(2R)-2-cyanopropyl]-N-ethyl-2-(2-methoxyethoxy)pyridine-3-carboxamide (CID 95276539) is N-[(2R)-2-cyanopropyl]-N-ethyl-2-(2-methoxyethoxy)pyridine-3-carboxamide.
What is the SMILES notation for N-[(2R)-2-cyanopropyl]-N-ethyl-2-(2-methoxyethoxy)pyridine-3-carboxamide?
The canonical SMILES for N-[(2R)-2-cyanopropyl]-N-ethyl-2-(2-methoxyethoxy)pyridine-3-carboxamide is CCN(C[C@@H](C)C#N)C(=O)c1cccnc1OCCOC.
What is the InChIKey of N-[(2R)-2-cyanopropyl]-N-ethyl-2-(2-methoxyethoxy)pyridine-3-carboxamide?
The InChIKey is MKAGUKXAKPEQCX-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-4-18(11-12(2)10-16)15(19)13-6-5-7-17-14(13)21-9-8-20-3/h5-7,12H,4,8-9,11H2,1-3H3/t12-/m0/s1.
What are the key properties of N-[(2R)-2-cyanopropyl]-N-ethyl-2-(2-methoxyethoxy)pyridine-3-carboxamide?
N-[(2R)-2-cyanopropyl]-N-ethyl-2-(2-methoxyethoxy)pyridine-3-carboxamide has a molecular weight of 291.35 g/mol, XLogP of 1.73, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-cyanopropyl]-N-ethyl-2-(2-methoxyethoxy)pyridine-3-carboxamide is sourced from PubChem (CID 95276539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).