6-chloro-N-[2-(3-hydroxyphenyl)pyrimidin-5-yl]-1H-indole-2-carboxamide

C19H13ClN4O2 — CID 56520260

IUPAC6-chloro-N-[2-(3-hydroxyphenyl)pyrimidin-5-yl]-1H-indole-2-carboxamide
SMILESO=C(Nc1cnc(-c2cccc(O)c2)nc1)c1cc2ccc(Cl)cc2[nH]1
InChIInChI=1S/C19H13ClN4O2/c20-13-5-4-11-7-17(24-16(11)8-13)19(26)23-14-9-21-18(22-10-14)12-2-1-3-15(25)6-12/h1-10,24-25H,(H,23,26)
InChIKeyPHZRSFSXMDKXKD-UHFFFAOYSA-N
MW364.79 g/mol
LogP4.24
Rot. Bonds3

About 6-chloro-N-[2-(3-hydroxyphenyl)pyrimidin-5-yl]-1H-indole-2-carboxamide

6-chloro-N-[2-(3-hydroxyphenyl)pyrimidin-5-yl]-1H-indole-2-carboxamide (PubChem CID 56520260) has the molecular formula C19H13ClN4O2 and a molecular weight of 364.79 g/mol. Its IUPAC name is 6-chloro-N-[2-(3-hydroxyphenyl)pyrimidin-5-yl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[2-(3-hydroxyphenyl)pyrimidin-5-yl]-1H-indole-2-carboxamide
PubChem CID56520260
Molecular FormulaC19H13ClN4O2
Molecular Weight364.79 g/mol
Exact Mass364.07
IUPAC Name6-chloro-N-[2-(3-hydroxyphenyl)pyrimidin-5-yl]-1H-indole-2-carboxamide
SMILESO=C(Nc1cnc(-c2cccc(O)c2)nc1)c1cc2ccc(Cl)cc2[nH]1
InChIInChI=1S/C19H13ClN4O2/c20-13-5-4-11-7-17(24-16(11)8-13)19(26)23-14-9-21-18(22-10-14)12-2-1-3-15(25)6-12/h1-10,24-25H,(H,23,26)
InChIKeyPHZRSFSXMDKXKD-UHFFFAOYSA-N
XLogP4.24
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.79
LogP ≤ 54.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-bromophenyl)-6-chloro-1H-indole-2-carboxamide
CID 113207573
N-[4-(2-amino-2-oxoethyl)phenyl]-6-chloro-1H-indole-2-carboxamide
CID 31862421
6-chloro-N-(4-cyanophenyl)-1H-indole-2-carboxamide
CID 113207612
N-[2-(3-chlorophenyl)pyrimidin-5-yl]-2,5-difluorobenzamide
CID 87050753
N-[2-(3-hydroxyphenyl)pyrimidin-5-yl]-1-methylpyrrole-2-carboxamide
CID 75436300
6-chloro-N-(4-propan-2-yloxyphenyl)-1H-indole-2-carboxamide
CID 113207580
2-chloro-N-[2-(3-chlorophenyl)pyrimidin-5-yl]-4-fluorobenzamide
CID 87050750
6-chloro-N-(2-propan-2-yloxyphenyl)-1H-indole-2-carboxamide
CID 39499154
6-chloro-N'-(5-fluoro-6-methoxy-3-pyridinyl)-1H-indole-2-carbohydrazide
CID 118064540
N-[2-(3-chlorophenyl)pyrimidin-5-yl]thiophene-2-carboxamide
CID 87050770
N-(3-chloro-4-fluorophenyl)-6-fluoro-1H-indole-2-carboxamide
CID 113207472
ethyl N-[4-[(6-chloro-1H-indole-2-carbonyl)amino]phenyl]carbamate
CID 60515896

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[2-(3-hydroxyphenyl)pyrimidin-5-yl]-1H-indole-2-carboxamide?
The IUPAC name of 6-chloro-N-[2-(3-hydroxyphenyl)pyrimidin-5-yl]-1H-indole-2-carboxamide (CID 56520260) is 6-chloro-N-[2-(3-hydroxyphenyl)pyrimidin-5-yl]-1H-indole-2-carboxamide.
What is the SMILES notation for 6-chloro-N-[2-(3-hydroxyphenyl)pyrimidin-5-yl]-1H-indole-2-carboxamide?
The canonical SMILES for 6-chloro-N-[2-(3-hydroxyphenyl)pyrimidin-5-yl]-1H-indole-2-carboxamide is O=C(Nc1cnc(-c2cccc(O)c2)nc1)c1cc2ccc(Cl)cc2[nH]1.
What is the InChIKey of 6-chloro-N-[2-(3-hydroxyphenyl)pyrimidin-5-yl]-1H-indole-2-carboxamide?
The InChIKey is PHZRSFSXMDKXKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClN4O2/c20-13-5-4-11-7-17(24-16(11)8-13)19(26)23-14-9-21-18(22-10-14)12-2-1-3-15(25)6-12/h1-10,24-25H,(H,23,26).
What are the key properties of 6-chloro-N-[2-(3-hydroxyphenyl)pyrimidin-5-yl]-1H-indole-2-carboxamide?
6-chloro-N-[2-(3-hydroxyphenyl)pyrimidin-5-yl]-1H-indole-2-carboxamide has a molecular weight of 364.79 g/mol, XLogP of 4.24, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[2-(3-hydroxyphenyl)pyrimidin-5-yl]-1H-indole-2-carboxamide is sourced from PubChem (CID 56520260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).