N-ethyl-4-[(3-methoxyoxolan-3-yl)methylamino]pyridine-2-carboxamide

C14H21N3O3 — CID 104705688

IUPACN-ethyl-4-[(3-methoxyoxolan-3-yl)methylamino]pyridine-2-carboxamide
SMILESCCNC(=O)c1cc(NCC2(OC)CCOC2)ccn1
InChIInChI=1S/C14H21N3O3/c1-3-15-13(18)12-8-11(4-6-16-12)17-9-14(19-2)5-7-20-10-14/h4,6,8H,3,5,7,9-10H2,1-2H3,(H,15,18)(H,16,17)
InChIKeyNPQWZTCUTQYJNY-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.05
Rot. Bonds6

About N-ethyl-4-[(3-methoxyoxolan-3-yl)methylamino]pyridine-2-carboxamide

N-ethyl-4-[(3-methoxyoxolan-3-yl)methylamino]pyridine-2-carboxamide (PubChem CID 104705688) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is N-ethyl-4-[(3-methoxyoxolan-3-yl)methylamino]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-4-[(3-methoxyoxolan-3-yl)methylamino]pyridine-2-carboxamide
PubChem CID104705688
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC NameN-ethyl-4-[(3-methoxyoxolan-3-yl)methylamino]pyridine-2-carboxamide
SMILESCCNC(=O)c1cc(NCC2(OC)CCOC2)ccn1
InChIInChI=1S/C14H21N3O3/c1-3-15-13(18)12-8-11(4-6-16-12)17-9-14(19-2)5-7-20-10-14/h4,6,8H,3,5,7,9-10H2,1-2H3,(H,15,18)(H,16,17)
InChIKeyNPQWZTCUTQYJNY-UHFFFAOYSA-N
XLogP1.05
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(3-methoxyoxolan-3-yl)methylamino]pyridine-2-carbothioamide
CID 104761878
2-fluoro-N-[(3-methoxyoxolan-3-yl)methyl]pyridin-4-amine
CID 104764554
N-ethyl-4-[[1-(hydroxymethyl)cyclopentyl]methylamino]pyridine-2-carboxamide
CID 115360776
4-[(1-methoxycyclobutyl)methylamino]-N,N-dimethylpyridine-2-carboxamide
CID 103989633
2-(ethylamino)-N-[(3-methoxyoxolan-3-yl)methyl]pyridine-3-carboxamide
CID 104765708
methyl 4-[(4-methyloxan-4-yl)methylamino]pyridine-2-carboxylate
CID 103742972
N-ethyl-4-(prop-2-enylamino)pyridine-2-carboxamide
CID 62142219
1-[[2-(ethylcarbamoyl)-4-pyridinyl]amino]cyclopentane-1-carboxylic acid
CID 61289525
4-[(2-amino-2-oxoethyl)amino]-N-ethylpyridine-2-carboxamide
CID 43517858
2-ethoxy-4-N-[(3-methoxyoxolan-3-yl)methyl]benzene-1,4-diamine
CID 104759004
5-(aminomethyl)-N-[(3-methoxyoxolan-3-yl)methyl]pyridine-2-carboxamide
CID 104758395
N-ethyl-4-[(2,2,3,3-tetramethylcyclopropyl)methylamino]pyridine-2-carboxamide
CID 79358278

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[(3-methoxyoxolan-3-yl)methylamino]pyridine-2-carboxamide?
The IUPAC name of N-ethyl-4-[(3-methoxyoxolan-3-yl)methylamino]pyridine-2-carboxamide (CID 104705688) is N-ethyl-4-[(3-methoxyoxolan-3-yl)methylamino]pyridine-2-carboxamide.
What is the SMILES notation for N-ethyl-4-[(3-methoxyoxolan-3-yl)methylamino]pyridine-2-carboxamide?
The canonical SMILES for N-ethyl-4-[(3-methoxyoxolan-3-yl)methylamino]pyridine-2-carboxamide is CCNC(=O)c1cc(NCC2(OC)CCOC2)ccn1.
What is the InChIKey of N-ethyl-4-[(3-methoxyoxolan-3-yl)methylamino]pyridine-2-carboxamide?
The InChIKey is NPQWZTCUTQYJNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-3-15-13(18)12-8-11(4-6-16-12)17-9-14(19-2)5-7-20-10-14/h4,6,8H,3,5,7,9-10H2,1-2H3,(H,15,18)(H,16,17).
What are the key properties of N-ethyl-4-[(3-methoxyoxolan-3-yl)methylamino]pyridine-2-carboxamide?
N-ethyl-4-[(3-methoxyoxolan-3-yl)methylamino]pyridine-2-carboxamide has a molecular weight of 279.34 g/mol, XLogP of 1.05, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[(3-methoxyoxolan-3-yl)methylamino]pyridine-2-carboxamide is sourced from PubChem (CID 104705688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).