N-ethyl-4-[[3-[[(2S)-oxolane-2-carbonyl]amino]phenyl]methylamino]pyridine-2-carboxamide

C20H24N4O3 — CID 97315172

IUPACN-ethyl-4-[[3-[[(2S)-oxolane-2-carbonyl]amino]phenyl]methylamino]pyridine-2-carboxamide
SMILESCCNC(=O)c1cc(NCc2cccc(NC(=O)[C@@H]3CCCO3)c2)ccn1
InChIInChI=1S/C20H24N4O3/c1-2-21-19(25)17-12-15(8-9-22-17)23-13-14-5-3-6-16(11-14)24-20(26)18-7-4-10-27-18/h3,5-6,8-9,11-12,18H,2,4,7,10,13H2,1H3,(H,21,25)(H,22,23)(H,24,26)/t18-/m0/s1
InChIKeyUYOJILDFBGUNIM-SFHVURJKSA-N
MW368.44 g/mol
LogP2.56
Rot. Bonds7

About N-ethyl-4-[[3-[[(2S)-oxolane-2-carbonyl]amino]phenyl]methylamino]pyridine-2-carboxamide

N-ethyl-4-[[3-[[(2S)-oxolane-2-carbonyl]amino]phenyl]methylamino]pyridine-2-carboxamide (PubChem CID 97315172) has the molecular formula C20H24N4O3 and a molecular weight of 368.44 g/mol. Its IUPAC name is N-ethyl-4-[[3-[[(2S)-oxolane-2-carbonyl]amino]phenyl]methylamino]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-4-[[3-[[(2S)-oxolane-2-carbonyl]amino]phenyl]methylamino]pyridine-2-carboxamide
PubChem CID97315172
Molecular FormulaC20H24N4O3
Molecular Weight368.44 g/mol
Exact Mass368.18
IUPAC NameN-ethyl-4-[[3-[[(2S)-oxolane-2-carbonyl]amino]phenyl]methylamino]pyridine-2-carboxamide
SMILESCCNC(=O)c1cc(NCc2cccc(NC(=O)[C@@H]3CCCO3)c2)ccn1
InChIInChI=1S/C20H24N4O3/c1-2-21-19(25)17-12-15(8-9-22-17)23-13-14-5-3-6-16(11-14)24-20(26)18-7-4-10-27-18/h3,5-6,8-9,11-12,18H,2,4,7,10,13H2,1H3,(H,21,25)(H,22,23)(H,24,26)/t18-/m0/s1
InChIKeyUYOJILDFBGUNIM-SFHVURJKSA-N
XLogP2.56
TPSA92.35 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 52.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-ethyl-4-[[3-[[(2S)-oxolane-2-carbonyl]amino]phenyl]methylamino]pyridine-2-carboxamide with MolForge

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Related Compounds

N-[3-(methylaminomethyl)phenyl]oxolane-2-carboxamide
CID 43601839
6-[[3-(oxolane-2-carbonylamino)phenyl]methylamino]pyridine-2-carboxylic acid
CID 122047903
N-[3-[[bis(ethylamino)methylideneamino]methyl]phenyl]oxolane-2-carboxamide;hydroiodide
CID 110918381
N-[3-[[(3-propan-2-yloxypyrazin-2-yl)amino]methyl]phenyl]oxolane-2-carboxamide
CID 133442683
2-(dimethylamino)-N-[[3-[[(2S)-oxolane-2-carbonyl]amino]phenyl]methyl]pyridine-3-carboxamide
CID 95213762
N-[3-[[(3-methylphenyl)methylcarbamoylamino]methyl]phenyl]oxolane-2-carboxamide
CID 47758963
4-[[3-(oxolane-2-carbonylamino)phenyl]methylcarbamoyl]benzoic acid
CID 119182538
2-(aminomethyl)-N-[[3-(oxolane-2-carbonylamino)phenyl]methyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119752010
(2R)-N-[3-[[(3,5-dichloro-2-pyridinyl)amino]methyl]phenyl]oxolane-2-carboxamide
CID 100663858
(2S)-N-[3-[[(3-nitro-2-pyridinyl)amino]methyl]phenyl]oxolane-2-carboxamide
CID 94825831
N-[3-[[[(benzylamino)-(ethylamino)methylidene]amino]methyl]phenyl]oxolane-2-carboxamide
CID 110952624
N-[3-[[[(cyclopentylamino)-(ethylamino)methylidene]amino]methyl]phenyl]oxolane-2-carboxamide;hydroiodide
CID 110990212

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[[3-[[(2S)-oxolane-2-carbonyl]amino]phenyl]methylamino]pyridine-2-carboxamide?
The IUPAC name of N-ethyl-4-[[3-[[(2S)-oxolane-2-carbonyl]amino]phenyl]methylamino]pyridine-2-carboxamide (CID 97315172) is N-ethyl-4-[[3-[[(2S)-oxolane-2-carbonyl]amino]phenyl]methylamino]pyridine-2-carboxamide.
What is the SMILES notation for N-ethyl-4-[[3-[[(2S)-oxolane-2-carbonyl]amino]phenyl]methylamino]pyridine-2-carboxamide?
The canonical SMILES for N-ethyl-4-[[3-[[(2S)-oxolane-2-carbonyl]amino]phenyl]methylamino]pyridine-2-carboxamide is CCNC(=O)c1cc(NCc2cccc(NC(=O)[C@@H]3CCCO3)c2)ccn1.
What is the InChIKey of N-ethyl-4-[[3-[[(2S)-oxolane-2-carbonyl]amino]phenyl]methylamino]pyridine-2-carboxamide?
The InChIKey is UYOJILDFBGUNIM-SFHVURJKSA-N. The full InChI is InChI=1S/C20H24N4O3/c1-2-21-19(25)17-12-15(8-9-22-17)23-13-14-5-3-6-16(11-14)24-20(26)18-7-4-10-27-18/h3,5-6,8-9,11-12,18H,2,4,7,10,13H2,1H3,(H,21,25)(H,22,23)(H,24,26)/t18-/m0/s1.
What are the key properties of N-ethyl-4-[[3-[[(2S)-oxolane-2-carbonyl]amino]phenyl]methylamino]pyridine-2-carboxamide?
N-ethyl-4-[[3-[[(2S)-oxolane-2-carbonyl]amino]phenyl]methylamino]pyridine-2-carboxamide has a molecular weight of 368.44 g/mol, XLogP of 2.56, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[[3-[[(2S)-oxolane-2-carbonyl]amino]phenyl]methylamino]pyridine-2-carboxamide is sourced from PubChem (CID 97315172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).