2-amino-6-(cyclopropanecarbonylamino)-4-(2-methoxyanilino)-N-methylpyridine-3-carboxamide

C18H21N5O3 — CID 166647430

IUPAC2-amino-6-(cyclopropanecarbonylamino)-4-(2-methoxyanilino)-N-methylpyridine-3-carboxamide
SMILESCNC(=O)c1c(Nc2ccccc2OC)cc(NC(=O)C2CC2)nc1N
InChIInChI=1S/C18H21N5O3/c1-20-18(25)15-12(21-11-5-3-4-6-13(11)26-2)9-14(22-16(15)19)23-17(24)10-7-8-10/h3-6,9-10H,7-8H2,1-2H3,(H,20,25)(H4,19,21,22,23,24)
InChIKeyQNEXREYTTKTDBB-UHFFFAOYSA-N
MW355.40 g/mol
LogP2.12
Rot. Bonds6

About 2-amino-6-(cyclopropanecarbonylamino)-4-(2-methoxyanilino)-N-methylpyridine-3-carboxamide

2-amino-6-(cyclopropanecarbonylamino)-4-(2-methoxyanilino)-N-methylpyridine-3-carboxamide (PubChem CID 166647430) has the molecular formula C18H21N5O3 and a molecular weight of 355.40 g/mol. Its IUPAC name is 2-amino-6-(cyclopropanecarbonylamino)-4-(2-methoxyanilino)-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-amino-6-(cyclopropanecarbonylamino)-4-(2-methoxyanilino)-N-methylpyridine-3-carboxamide
PubChem CID166647430
Molecular FormulaC18H21N5O3
Molecular Weight355.40 g/mol
Exact Mass355.16
IUPAC Name2-amino-6-(cyclopropanecarbonylamino)-4-(2-methoxyanilino)-N-methylpyridine-3-carboxamide
SMILESCNC(=O)c1c(Nc2ccccc2OC)cc(NC(=O)C2CC2)nc1N
InChIInChI=1S/C18H21N5O3/c1-20-18(25)15-12(21-11-5-3-4-6-13(11)26-2)9-14(22-16(15)19)23-17(24)10-7-8-10/h3-6,9-10H,7-8H2,1-2H3,(H,20,25)(H4,19,21,22,23,24)
InChIKeyQNEXREYTTKTDBB-UHFFFAOYSA-N
XLogP2.12
TPSA118.37 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 52.12
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(2-methoxyanilino)phenyl]cyclopropanecarboxamide
CID 112987323
4-N-(2-chlorophenyl)-1-N-(2-methoxyphenyl)cyclohexane-1,4-dicarboxamide
CID 109150938
4-(aminomethyl)-N-(2-methoxyphenyl)cyclohexane-1-carboxamide
CID 79527313
1-acetyl-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 6468496
1-N-(2-methoxyphenyl)-4-N-propan-2-ylcyclohexane-1,4-dicarboxamide
CID 109144578
4-N-(2-ethoxyphenyl)-1-N-(2-methoxyphenyl)cyclohexane-1,4-dicarboxamide
CID 109151014
1-N-(2,4-dimethylphenyl)-4-N-(2-methoxyphenyl)cyclohexane-1,4-dicarboxamide
CID 109150632
4-[[2-methoxy-5-(methylcarbamoyl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 120672574
1-[[4-amino-6-(2-methoxyanilino)-1,3,5-triazin-2-yl]methyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 56525149
4-N-(2-methoxyphenyl)-1-N-propylcyclohexane-1,4-dicarboxamide
CID 109144383
1-N-(1,3-benzodioxol-5-yl)-4-N-(2-methoxyphenyl)cyclohexane-1,4-dicarboxamide
CID 109151021
N-[2-(2-methoxyanilino)-2-oxoethyl]cyclopropanecarboxamide
CID 110687182

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(cyclopropanecarbonylamino)-4-(2-methoxyanilino)-N-methylpyridine-3-carboxamide?
The IUPAC name of 2-amino-6-(cyclopropanecarbonylamino)-4-(2-methoxyanilino)-N-methylpyridine-3-carboxamide (CID 166647430) is 2-amino-6-(cyclopropanecarbonylamino)-4-(2-methoxyanilino)-N-methylpyridine-3-carboxamide.
What is the SMILES notation for 2-amino-6-(cyclopropanecarbonylamino)-4-(2-methoxyanilino)-N-methylpyridine-3-carboxamide?
The canonical SMILES for 2-amino-6-(cyclopropanecarbonylamino)-4-(2-methoxyanilino)-N-methylpyridine-3-carboxamide is CNC(=O)c1c(Nc2ccccc2OC)cc(NC(=O)C2CC2)nc1N.
What is the InChIKey of 2-amino-6-(cyclopropanecarbonylamino)-4-(2-methoxyanilino)-N-methylpyridine-3-carboxamide?
The InChIKey is QNEXREYTTKTDBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O3/c1-20-18(25)15-12(21-11-5-3-4-6-13(11)26-2)9-14(22-16(15)19)23-17(24)10-7-8-10/h3-6,9-10H,7-8H2,1-2H3,(H,20,25)(H4,19,21,22,23,24).
What are the key properties of 2-amino-6-(cyclopropanecarbonylamino)-4-(2-methoxyanilino)-N-methylpyridine-3-carboxamide?
2-amino-6-(cyclopropanecarbonylamino)-4-(2-methoxyanilino)-N-methylpyridine-3-carboxamide has a molecular weight of 355.40 g/mol, XLogP of 2.12, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(cyclopropanecarbonylamino)-4-(2-methoxyanilino)-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 166647430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).