[4,6-dimethyl-5-[(1H-pyrrole-3-carbonylamino)methyl]-2-pyridinyl]carbamic acid

C14H16N4O3 — CID 66729186

IUPAC[4,6-dimethyl-5-[(1H-pyrrole-3-carbonylamino)methyl]-2-pyridinyl]carbamic acid
SMILESCc1cc(NC(=O)O)nc(C)c1CNC(=O)c1cc[nH]c1
InChIInChI=1S/C14H16N4O3/c1-8-5-12(18-14(20)21)17-9(2)11(8)7-16-13(19)10-3-4-15-6-10/h3-6,15H,7H2,1-2H3,(H,16,19)(H,17,18)(H,20,21)
InChIKeyRETDQNQNLRTUNE-UHFFFAOYSA-N
MW288.31 g/mol
LogP2.05
Rot. Bonds4

About [4,6-dimethyl-5-[(1H-pyrrole-3-carbonylamino)methyl]-2-pyridinyl]carbamic acid

[4,6-dimethyl-5-[(1H-pyrrole-3-carbonylamino)methyl]-2-pyridinyl]carbamic acid (PubChem CID 66729186) has the molecular formula C14H16N4O3 and a molecular weight of 288.31 g/mol. Its IUPAC name is [4,6-dimethyl-5-[(1H-pyrrole-3-carbonylamino)methyl]-2-pyridinyl]carbamic acid.

Molecular Properties

Compound Name[4,6-dimethyl-5-[(1H-pyrrole-3-carbonylamino)methyl]-2-pyridinyl]carbamic acid
PubChem CID66729186
Molecular FormulaC14H16N4O3
Molecular Weight288.31 g/mol
Exact Mass288.12
IUPAC Name[4,6-dimethyl-5-[(1H-pyrrole-3-carbonylamino)methyl]-2-pyridinyl]carbamic acid
SMILESCc1cc(NC(=O)O)nc(C)c1CNC(=O)c1cc[nH]c1
InChIInChI=1S/C14H16N4O3/c1-8-5-12(18-14(20)21)17-9(2)11(8)7-16-13(19)10-3-4-15-6-10/h3-6,15H,7H2,1-2H3,(H,16,19)(H,17,18)(H,20,21)
InChIKeyRETDQNQNLRTUNE-UHFFFAOYSA-N
XLogP2.05
TPSA107.11 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 52.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

[4,6-dimethyl-5-[(1H-pyrazole-4-carbonylamino)methyl]-2-pyridinyl]carbamic acid
CID 66723619
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1H-pyrazole-4-carboxamide
CID 142714628
[5-[[[1-[[3-methoxy-4-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazole-4-carbonyl]amino]methyl]-4,6-dimethyl-2-pyridinyl]carbamic acid
CID 66729492
3,4-dimethyl-N-(1H-pyrrol-3-ylmethyl)benzamide
CID 110782670
tert-butyl N-[5-[[[1-[[4-[(2,5-dihydroxypyrrol-1-yl)methyl]phenyl]methyl]pyrazole-4-carbonyl]amino]methyl]-4,6-dimethyl-2-pyridinyl]carbamate
CID 123512175
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-benzylpyrrole-3-carboxamide
CID 56836928
N-(2,5-dimethylphenyl)-1H-pyrrole-3-carboxamide
CID 110691132
N-(4-amino-3-methylphenyl)-1H-pyrrole-3-carboxamide
CID 141038982
6-methyl-N-(1H-pyrrol-3-ylmethyl)pyridine-3-carboxamide
CID 106385210
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3,4-dimethylbenzamide
CID 110731036
N-dodecyl-1H-pyrrole-3-carboxamide
CID 175440908
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-phenoxy-1,3-oxazole-4-carboxamide
CID 58081339

Frequently Asked Questions

What is the IUPAC name of [4,6-dimethyl-5-[(1H-pyrrole-3-carbonylamino)methyl]-2-pyridinyl]carbamic acid?
The IUPAC name of [4,6-dimethyl-5-[(1H-pyrrole-3-carbonylamino)methyl]-2-pyridinyl]carbamic acid (CID 66729186) is [4,6-dimethyl-5-[(1H-pyrrole-3-carbonylamino)methyl]-2-pyridinyl]carbamic acid.
What is the SMILES notation for [4,6-dimethyl-5-[(1H-pyrrole-3-carbonylamino)methyl]-2-pyridinyl]carbamic acid?
The canonical SMILES for [4,6-dimethyl-5-[(1H-pyrrole-3-carbonylamino)methyl]-2-pyridinyl]carbamic acid is Cc1cc(NC(=O)O)nc(C)c1CNC(=O)c1cc[nH]c1.
What is the InChIKey of [4,6-dimethyl-5-[(1H-pyrrole-3-carbonylamino)methyl]-2-pyridinyl]carbamic acid?
The InChIKey is RETDQNQNLRTUNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O3/c1-8-5-12(18-14(20)21)17-9(2)11(8)7-16-13(19)10-3-4-15-6-10/h3-6,15H,7H2,1-2H3,(H,16,19)(H,17,18)(H,20,21).
What are the key properties of [4,6-dimethyl-5-[(1H-pyrrole-3-carbonylamino)methyl]-2-pyridinyl]carbamic acid?
[4,6-dimethyl-5-[(1H-pyrrole-3-carbonylamino)methyl]-2-pyridinyl]carbamic acid has a molecular weight of 288.31 g/mol, XLogP of 2.05, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4,6-dimethyl-5-[(1H-pyrrole-3-carbonylamino)methyl]-2-pyridinyl]carbamic acid is sourced from PubChem (CID 66729186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).