2-(dimethylamino)-N-[[3-[[(2S)-oxolane-2-carbonyl]amino]phenyl]methyl]pyridine-3-carboxamide

C20H24N4O3 — CID 95213762

IUPAC2-(dimethylamino)-N-[[3-[[(2S)-oxolane-2-carbonyl]amino]phenyl]methyl]pyridine-3-carboxamide
SMILESCN(C)c1ncccc1C(=O)NCc1cccc(NC(=O)[C@@H]2CCCO2)c1
InChIInChI=1S/C20H24N4O3/c1-24(2)18-16(8-4-10-21-18)19(25)22-13-14-6-3-7-15(12-14)23-20(26)17-9-5-11-27-17/h3-4,6-8,10,12,17H,5,9,11,13H2,1-2H3,(H,22,25)(H,23,26)/t17-/m0/s1
InChIKeyLUTZMYNJCYBGAH-KRWDZBQOSA-N
MW368.44 g/mol
LogP2.20
Rot. Bonds6

About 2-(dimethylamino)-N-[[3-[[(2S)-oxolane-2-carbonyl]amino]phenyl]methyl]pyridine-3-carboxamide

2-(dimethylamino)-N-[[3-[[(2S)-oxolane-2-carbonyl]amino]phenyl]methyl]pyridine-3-carboxamide (PubChem CID 95213762) has the molecular formula C20H24N4O3 and a molecular weight of 368.44 g/mol. Its IUPAC name is 2-(dimethylamino)-N-[[3-[[(2S)-oxolane-2-carbonyl]amino]phenyl]methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(dimethylamino)-N-[[3-[[(2S)-oxolane-2-carbonyl]amino]phenyl]methyl]pyridine-3-carboxamide
PubChem CID95213762
Molecular FormulaC20H24N4O3
Molecular Weight368.44 g/mol
Exact Mass368.18
IUPAC Name2-(dimethylamino)-N-[[3-[[(2S)-oxolane-2-carbonyl]amino]phenyl]methyl]pyridine-3-carboxamide
SMILESCN(C)c1ncccc1C(=O)NCc1cccc(NC(=O)[C@@H]2CCCO2)c1
InChIInChI=1S/C20H24N4O3/c1-24(2)18-16(8-4-10-21-18)19(25)22-13-14-6-3-7-15(12-14)23-20(26)17-9-5-11-27-17/h3-4,6-8,10,12,17H,5,9,11,13H2,1-2H3,(H,22,25)(H,23,26)/t17-/m0/s1
InChIKeyLUTZMYNJCYBGAH-KRWDZBQOSA-N
XLogP2.20
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(dimethylamino)-N-[[3-[[(2S)-oxolane-2-carbonyl]amino]phenyl]methyl]pyridine-3-carboxamide with MolForge

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Related Compounds

N-[3-[[(2-aminobenzoyl)amino]methyl]phenyl]oxolane-2-carboxamide;hydrochloride
CID 119945005
4-[[3-(oxolane-2-carbonylamino)phenyl]methylcarbamoyl]benzoic acid
CID 119182538
N-[3-(methylaminomethyl)phenyl]oxolane-2-carboxamide
CID 43601839
N-[3-[[3-(methylcarbamoyl)phenyl]methylcarbamoyl]phenyl]oxolane-2-carboxamide
CID 46592689
N-[3-[[[N'-methyl-N-(pyridin-2-ylmethyl)carbamimidoyl]amino]methyl]phenyl]oxolane-2-carboxamide
CID 110968246
N-[3-[[(3-methylphenyl)methylcarbamoylamino]methyl]phenyl]oxolane-2-carboxamide
CID 47758963
N-[3-(benzylcarbamoyl)phenyl]oxolane-2-carboxamide
CID 2971215
N-ethyl-4-[[3-[[(2S)-oxolane-2-carbonyl]amino]phenyl]methylamino]pyridine-2-carboxamide
CID 97315172
N-[3-[[[(2R)-2-aminopropanoyl]amino]methyl]phenyl]oxolane-2-carboxamide;hydrochloride
CID 119305205
N-[3-[[(N,N'-dimethylcarbamimidoyl)amino]methyl]phenyl]oxolane-2-carboxamide
CID 110918378
N-[3-[[(3-chlorophenyl)carbamoylamino]methyl]phenyl]oxolane-2-carboxamide
CID 60586470
(2S)-N-[3-[[(3-nitro-2-pyridinyl)amino]methyl]phenyl]oxolane-2-carboxamide
CID 94825831

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-N-[[3-[[(2S)-oxolane-2-carbonyl]amino]phenyl]methyl]pyridine-3-carboxamide?
The IUPAC name of 2-(dimethylamino)-N-[[3-[[(2S)-oxolane-2-carbonyl]amino]phenyl]methyl]pyridine-3-carboxamide (CID 95213762) is 2-(dimethylamino)-N-[[3-[[(2S)-oxolane-2-carbonyl]amino]phenyl]methyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-(dimethylamino)-N-[[3-[[(2S)-oxolane-2-carbonyl]amino]phenyl]methyl]pyridine-3-carboxamide?
The canonical SMILES for 2-(dimethylamino)-N-[[3-[[(2S)-oxolane-2-carbonyl]amino]phenyl]methyl]pyridine-3-carboxamide is CN(C)c1ncccc1C(=O)NCc1cccc(NC(=O)[C@@H]2CCCO2)c1.
What is the InChIKey of 2-(dimethylamino)-N-[[3-[[(2S)-oxolane-2-carbonyl]amino]phenyl]methyl]pyridine-3-carboxamide?
The InChIKey is LUTZMYNJCYBGAH-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H24N4O3/c1-24(2)18-16(8-4-10-21-18)19(25)22-13-14-6-3-7-15(12-14)23-20(26)17-9-5-11-27-17/h3-4,6-8,10,12,17H,5,9,11,13H2,1-2H3,(H,22,25)(H,23,26)/t17-/m0/s1.
What are the key properties of 2-(dimethylamino)-N-[[3-[[(2S)-oxolane-2-carbonyl]amino]phenyl]methyl]pyridine-3-carboxamide?
2-(dimethylamino)-N-[[3-[[(2S)-oxolane-2-carbonyl]amino]phenyl]methyl]pyridine-3-carboxamide has a molecular weight of 368.44 g/mol, XLogP of 2.20, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-N-[[3-[[(2S)-oxolane-2-carbonyl]amino]phenyl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 95213762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).