N,N-diethyl-4-(pyrrolidin-3-ylmethoxy)pyridine-2-carboxamide

C15H23N3O2 — CID 62372825

IUPACN,N-diethyl-4-(pyrrolidin-3-ylmethoxy)pyridine-2-carboxamide
SMILESCCN(CC)C(=O)c1cc(OCC2CCNC2)ccn1
InChIInChI=1S/C15H23N3O2/c1-3-18(4-2)15(19)14-9-13(6-8-17-14)20-11-12-5-7-16-10-12/h6,8-9,12,16H,3-5,7,10-11H2,1-2H3
InChIKeySSMPSXHCKOZXIQ-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.55
Rot. Bonds6

About N,N-diethyl-4-(pyrrolidin-3-ylmethoxy)pyridine-2-carboxamide

N,N-diethyl-4-(pyrrolidin-3-ylmethoxy)pyridine-2-carboxamide (PubChem CID 62372825) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is N,N-diethyl-4-(pyrrolidin-3-ylmethoxy)pyridine-2-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-4-(pyrrolidin-3-ylmethoxy)pyridine-2-carboxamide
PubChem CID62372825
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC NameN,N-diethyl-4-(pyrrolidin-3-ylmethoxy)pyridine-2-carboxamide
SMILESCCN(CC)C(=O)c1cc(OCC2CCNC2)ccn1
InChIInChI=1S/C15H23N3O2/c1-3-18(4-2)15(19)14-9-13(6-8-17-14)20-11-12-5-7-16-10-12/h6,8-9,12,16H,3-5,7,10-11H2,1-2H3
InChIKeySSMPSXHCKOZXIQ-UHFFFAOYSA-N
XLogP1.55
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-3-[(4-ethoxyphenoxy)methyl]pyrrolidine
CID 86321325
N-[3-[[(3R)-pyrrolidin-3-yl]methoxy]phenyl]acetamide
CID 86321166
methyl 3-(pyrrolidin-3-ylmethoxy)benzoate;hydrochloride
CID 56830232
(3S)-3-[(3,4-dimethylphenoxy)methyl]pyrrolidine
CID 86321220
(3S)-3-[(3-ethylphenoxy)methyl]pyrrolidine;hydrochloride
CID 165429467
dimethyl 5-[[(3S)-pyrrolidin-3-yl]methoxy]benzene-1,3-dicarboxylate
CID 165437442
3-[(4-ethoxyphenoxy)methyl]pyrrolidine;hydrochloride
CID 56830321
4-phenoxy-N-propyl-N-pyrrolidin-3-ylpyridine-2-carboxamide
CID 119531895
N-[4-[[(3R)-pyrrolidin-3-yl]methoxy]phenyl]acetamide
CID 86321304
4-(cyclohexylmethoxy)pyridine-2-carboxylic acid
CID 62382036
[4-[[(3S)-pyrrolidin-3-yl]methoxy]phenyl] 2,2-dimethylpropanoate
CID 174567843
N-methyl-4-(2-piperidin-3-ylethoxy)pyridine-2-carboxamide
CID 62358035

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-(pyrrolidin-3-ylmethoxy)pyridine-2-carboxamide?
The IUPAC name of N,N-diethyl-4-(pyrrolidin-3-ylmethoxy)pyridine-2-carboxamide (CID 62372825) is N,N-diethyl-4-(pyrrolidin-3-ylmethoxy)pyridine-2-carboxamide.
What is the SMILES notation for N,N-diethyl-4-(pyrrolidin-3-ylmethoxy)pyridine-2-carboxamide?
The canonical SMILES for N,N-diethyl-4-(pyrrolidin-3-ylmethoxy)pyridine-2-carboxamide is CCN(CC)C(=O)c1cc(OCC2CCNC2)ccn1.
What is the InChIKey of N,N-diethyl-4-(pyrrolidin-3-ylmethoxy)pyridine-2-carboxamide?
The InChIKey is SSMPSXHCKOZXIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-3-18(4-2)15(19)14-9-13(6-8-17-14)20-11-12-5-7-16-10-12/h6,8-9,12,16H,3-5,7,10-11H2,1-2H3.
What are the key properties of N,N-diethyl-4-(pyrrolidin-3-ylmethoxy)pyridine-2-carboxamide?
N,N-diethyl-4-(pyrrolidin-3-ylmethoxy)pyridine-2-carboxamide has a molecular weight of 277.37 g/mol, XLogP of 1.55, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-(pyrrolidin-3-ylmethoxy)pyridine-2-carboxamide is sourced from PubChem (CID 62372825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).