N-(1H-indol-3-yl)-2-phenylpyrimidine-5-carboxamide

C19H14N4O — CID 68559101

IUPACN-(1H-indol-3-yl)-2-phenylpyrimidine-5-carboxamide
SMILESO=C(Nc1c[nH]c2ccccc12)c1cnc(-c2ccccc2)nc1
InChIInChI=1S/C19H14N4O/c24-19(23-17-12-20-16-9-5-4-8-15(16)17)14-10-21-18(22-11-14)13-6-2-1-3-7-13/h1-12,20H,(H,23,24)
InChIKeyBWQUMJLPSRDSKP-UHFFFAOYSA-N
MW314.35 g/mol
LogP3.88
Rot. Bonds3

About N-(1H-indol-3-yl)-2-phenylpyrimidine-5-carboxamide

N-(1H-indol-3-yl)-2-phenylpyrimidine-5-carboxamide (PubChem CID 68559101) has the molecular formula C19H14N4O and a molecular weight of 314.35 g/mol. Its IUPAC name is N-(1H-indol-3-yl)-2-phenylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(1H-indol-3-yl)-2-phenylpyrimidine-5-carboxamide
PubChem CID68559101
Molecular FormulaC19H14N4O
Molecular Weight314.35 g/mol
Exact Mass314.12
IUPAC NameN-(1H-indol-3-yl)-2-phenylpyrimidine-5-carboxamide
SMILESO=C(Nc1c[nH]c2ccccc12)c1cnc(-c2ccccc2)nc1
InChIInChI=1S/C19H14N4O/c24-19(23-17-12-20-16-9-5-4-8-15(16)17)14-10-21-18(22-11-14)13-6-2-1-3-7-13/h1-12,20H,(H,23,24)
InChIKeyBWQUMJLPSRDSKP-UHFFFAOYSA-N
XLogP3.88
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.35
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1H-indol-3-yl)-1-phenylpyrazole-4-carboxamide
CID 29258148
1H-indol-3-ylcarbamic acid
CID 66672709
N-(2-methylphenyl)-2-phenylpyrimidine-5-carboxamide
CID 47778991
N-(1H-indol-3-yl)-2-(4-methylphenyl)-1H-imidazole-5-carboxamide
CID 170195033
2-chloro-N-(1H-indol-3-yl)benzamide
CID 56763159
N-(1H-indol-3-yl)-5,6,7,8-tetrahydro-2,7-naphthyridine-4-carboxamide
CID 112526913
1-cyclopentyl-N-(1H-indol-3-yl)pyrazole-4-carboxamide
CID 154652767
N-(1H-indol-3-yl)-6-pyridin-2-ylpyridine-2-carboxamide
CID 169101791
N-(1H-indol-3-yl)-5-[4-(trifluoromethyl)phenyl]-1H-imidazole-2-carboxamide
CID 162444825
4-(1H-indol-3-yl)-N-phenylbenzamide
CID 146637660
1-benzyl-3-(1H-indol-3-yl)urea
CID 7615984
3-(1H-indol-3-ylamino)-2,2-dimethyl-3-oxopropanoic acid
CID 115163934

Frequently Asked Questions

What is the IUPAC name of N-(1H-indol-3-yl)-2-phenylpyrimidine-5-carboxamide?
The IUPAC name of N-(1H-indol-3-yl)-2-phenylpyrimidine-5-carboxamide (CID 68559101) is N-(1H-indol-3-yl)-2-phenylpyrimidine-5-carboxamide.
What is the SMILES notation for N-(1H-indol-3-yl)-2-phenylpyrimidine-5-carboxamide?
The canonical SMILES for N-(1H-indol-3-yl)-2-phenylpyrimidine-5-carboxamide is O=C(Nc1c[nH]c2ccccc12)c1cnc(-c2ccccc2)nc1.
What is the InChIKey of N-(1H-indol-3-yl)-2-phenylpyrimidine-5-carboxamide?
The InChIKey is BWQUMJLPSRDSKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N4O/c24-19(23-17-12-20-16-9-5-4-8-15(16)17)14-10-21-18(22-11-14)13-6-2-1-3-7-13/h1-12,20H,(H,23,24).
What are the key properties of N-(1H-indol-3-yl)-2-phenylpyrimidine-5-carboxamide?
N-(1H-indol-3-yl)-2-phenylpyrimidine-5-carboxamide has a molecular weight of 314.35 g/mol, XLogP of 3.88, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indol-3-yl)-2-phenylpyrimidine-5-carboxamide is sourced from PubChem (CID 68559101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).