N-[3-chloro-4-(2,5-dihydroxypyrrol-1-yl)phenyl]pyrimidine-4-carboxamide

C15H11ClN4O3 — CID 137053556

IUPACN-[3-chloro-4-(2,5-dihydroxypyrrol-1-yl)phenyl]pyrimidine-4-carboxamide
SMILESO=C(Nc1ccc(-n2c(O)ccc2O)c(Cl)c1)c1ccncn1
InChIInChI=1S/C15H11ClN4O3/c16-10-7-9(19-15(23)11-5-6-17-8-18-11)1-2-12(10)20-13(21)3-4-14(20)22/h1-8,21-22H,(H,19,23)
InChIKeyMNCUPGUYPCXRKO-UHFFFAOYSA-N
MW330.73 g/mol
LogP2.58
Rot. Bonds3

About N-[3-chloro-4-(2,5-dihydroxypyrrol-1-yl)phenyl]pyrimidine-4-carboxamide

N-[3-chloro-4-(2,5-dihydroxypyrrol-1-yl)phenyl]pyrimidine-4-carboxamide (PubChem CID 137053556) has the molecular formula C15H11ClN4O3 and a molecular weight of 330.73 g/mol. Its IUPAC name is N-[3-chloro-4-(2,5-dihydroxypyrrol-1-yl)phenyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[3-chloro-4-(2,5-dihydroxypyrrol-1-yl)phenyl]pyrimidine-4-carboxamide
PubChem CID137053556
Molecular FormulaC15H11ClN4O3
Molecular Weight330.73 g/mol
Exact Mass330.05
IUPAC NameN-[3-chloro-4-(2,5-dihydroxypyrrol-1-yl)phenyl]pyrimidine-4-carboxamide
SMILESO=C(Nc1ccc(-n2c(O)ccc2O)c(Cl)c1)c1ccncn1
InChIInChI=1S/C15H11ClN4O3/c16-10-7-9(19-15(23)11-5-6-17-8-18-11)1-2-12(10)20-13(21)3-4-14(20)22/h1-8,21-22H,(H,19,23)
InChIKeyMNCUPGUYPCXRKO-UHFFFAOYSA-N
XLogP2.58
TPSA100.27 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.73
LogP ≤ 52.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-chloro-4-pyridinyl)pyrimidine-4-carboxamide
CID 140508287
N-naphthalen-2-ylpyrimidine-4-carboxamide
CID 140508314
N-[3-(diethylaminomethyl)-4-hydroxyphenyl]pyrimidine-4-carboxamide
CID 161147787
N-[3-chloro-4-(2,5-dioxopyrrolidin-1-yl)phenyl]pyridine-4-carboxamide
CID 58280035
N-(3-nitrophenyl)pyrimidine-4-carboxamide
CID 140508331
N-(3,4-dichlorophenyl)-2-methylpyrimidine-4-carboxamide
CID 47255119
N-(2-chloro-6-methylphenyl)pyrimidine-4-carboxamide
CID 141229709
N-(3-chloro-4-imidazol-1-ylphenyl)-3,4,5-triethoxybenzamide
CID 60607880
N-[4-(7-acetyl-1-hydroxy-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-2-yl)-3-chlorophenyl]pyridine-2-carboxamide
CID 123199220
N-[3-chloro-4-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)phenyl]pyridine-2-carboxamide
CID 45110764
1-(3,4-dichlorophenyl)-3-(pyrimidin-4-ylamino)urea
CID 59081759
N-(3,4-dichlorophenyl)-4-methylpyrimidine-5-carboxamide
CID 110863958

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-(2,5-dihydroxypyrrol-1-yl)phenyl]pyrimidine-4-carboxamide?
The IUPAC name of N-[3-chloro-4-(2,5-dihydroxypyrrol-1-yl)phenyl]pyrimidine-4-carboxamide (CID 137053556) is N-[3-chloro-4-(2,5-dihydroxypyrrol-1-yl)phenyl]pyrimidine-4-carboxamide.
What is the SMILES notation for N-[3-chloro-4-(2,5-dihydroxypyrrol-1-yl)phenyl]pyrimidine-4-carboxamide?
The canonical SMILES for N-[3-chloro-4-(2,5-dihydroxypyrrol-1-yl)phenyl]pyrimidine-4-carboxamide is O=C(Nc1ccc(-n2c(O)ccc2O)c(Cl)c1)c1ccncn1.
What is the InChIKey of N-[3-chloro-4-(2,5-dihydroxypyrrol-1-yl)phenyl]pyrimidine-4-carboxamide?
The InChIKey is MNCUPGUYPCXRKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN4O3/c16-10-7-9(19-15(23)11-5-6-17-8-18-11)1-2-12(10)20-13(21)3-4-14(20)22/h1-8,21-22H,(H,19,23).
What are the key properties of N-[3-chloro-4-(2,5-dihydroxypyrrol-1-yl)phenyl]pyrimidine-4-carboxamide?
N-[3-chloro-4-(2,5-dihydroxypyrrol-1-yl)phenyl]pyrimidine-4-carboxamide has a molecular weight of 330.73 g/mol, XLogP of 2.58, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-(2,5-dihydroxypyrrol-1-yl)phenyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 137053556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).