4-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-5-(2-hydroxyphenyl)-1H-imidazole-2-carboxamide

C19H17N5O3 — CID 155537377

IUPAC4-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-5-(2-hydroxyphenyl)-1H-imidazole-2-carboxamide
SMILESNC(=O)c1nc(-c2ccnc(NC(=O)C3CC3)c2)c(-c2ccccc2O)[nH]1
InChIInChI=1S/C19H17N5O3/c20-17(26)18-23-15(16(24-18)12-3-1-2-4-13(12)25)11-7-8-21-14(9-11)22-19(27)10-5-6-10/h1-4,7-10,25H,5-6H2,(H2,20,26)(H,23,24)(H,21,22,27)
InChIKeyYNCGVGVXBSUEFC-UHFFFAOYSA-N
MW363.38 g/mol
LogP2.29
Rot. Bonds5

About 4-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-5-(2-hydroxyphenyl)-1H-imidazole-2-carboxamide

4-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-5-(2-hydroxyphenyl)-1H-imidazole-2-carboxamide (PubChem CID 155537377) has the molecular formula C19H17N5O3 and a molecular weight of 363.38 g/mol. Its IUPAC name is 4-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-5-(2-hydroxyphenyl)-1H-imidazole-2-carboxamide.

Molecular Properties

Compound Name4-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-5-(2-hydroxyphenyl)-1H-imidazole-2-carboxamide
PubChem CID155537377
Molecular FormulaC19H17N5O3
Molecular Weight363.38 g/mol
Exact Mass363.13
IUPAC Name4-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-5-(2-hydroxyphenyl)-1H-imidazole-2-carboxamide
SMILESNC(=O)c1nc(-c2ccnc(NC(=O)C3CC3)c2)c(-c2ccccc2O)[nH]1
InChIInChI=1S/C19H17N5O3/c20-17(26)18-23-15(16(24-18)12-3-1-2-4-13(12)25)11-7-8-21-14(9-11)22-19(27)10-5-6-10/h1-4,7-10,25H,5-6H2,(H2,20,26)(H,23,24)(H,21,22,27)
InChIKeyYNCGVGVXBSUEFC-UHFFFAOYSA-N
XLogP2.29
TPSA133.99 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.38
LogP ≤ 52.29
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-5-(2-hydroxyphenyl)-1H-imidazole-2-carboxamide?
The IUPAC name of 4-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-5-(2-hydroxyphenyl)-1H-imidazole-2-carboxamide (CID 155537377) is 4-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-5-(2-hydroxyphenyl)-1H-imidazole-2-carboxamide.
What is the SMILES notation for 4-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-5-(2-hydroxyphenyl)-1H-imidazole-2-carboxamide?
The canonical SMILES for 4-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-5-(2-hydroxyphenyl)-1H-imidazole-2-carboxamide is NC(=O)c1nc(-c2ccnc(NC(=O)C3CC3)c2)c(-c2ccccc2O)[nH]1.
What is the InChIKey of 4-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-5-(2-hydroxyphenyl)-1H-imidazole-2-carboxamide?
The InChIKey is YNCGVGVXBSUEFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O3/c20-17(26)18-23-15(16(24-18)12-3-1-2-4-13(12)25)11-7-8-21-14(9-11)22-19(27)10-5-6-10/h1-4,7-10,25H,5-6H2,(H2,20,26)(H,23,24)(H,21,22,27).
What are the key properties of 4-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-5-(2-hydroxyphenyl)-1H-imidazole-2-carboxamide?
4-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-5-(2-hydroxyphenyl)-1H-imidazole-2-carboxamide has a molecular weight of 363.38 g/mol, XLogP of 2.29, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-5-(2-hydroxyphenyl)-1H-imidazole-2-carboxamide is sourced from PubChem (CID 155537377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).