N-(6-chloropyrimidin-4-yl)-1-propan-2-ylpyrrole-2-carboxamide

C12H13ClN4O — CID 114050020

IUPACN-(6-chloropyrimidin-4-yl)-1-propan-2-ylpyrrole-2-carboxamide
SMILESCC(C)n1cccc1C(=O)Nc1cc(Cl)ncn1
InChIInChI=1S/C12H13ClN4O/c1-8(2)17-5-3-4-9(17)12(18)16-11-6-10(13)14-7-15-11/h3-8H,1-2H3,(H,14,15,16,18)
InChIKeyCKGGJEXEFCCXLF-UHFFFAOYSA-N
MW264.72 g/mol
LogP2.76
Rot. Bonds3

About N-(6-chloropyrimidin-4-yl)-1-propan-2-ylpyrrole-2-carboxamide

N-(6-chloropyrimidin-4-yl)-1-propan-2-ylpyrrole-2-carboxamide (PubChem CID 114050020) has the molecular formula C12H13ClN4O and a molecular weight of 264.72 g/mol. Its IUPAC name is N-(6-chloropyrimidin-4-yl)-1-propan-2-ylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(6-chloropyrimidin-4-yl)-1-propan-2-ylpyrrole-2-carboxamide
PubChem CID114050020
Molecular FormulaC12H13ClN4O
Molecular Weight264.72 g/mol
Exact Mass264.08
IUPAC NameN-(6-chloropyrimidin-4-yl)-1-propan-2-ylpyrrole-2-carboxamide
SMILESCC(C)n1cccc1C(=O)Nc1cc(Cl)ncn1
InChIInChI=1S/C12H13ClN4O/c1-8(2)17-5-3-4-9(17)12(18)16-11-6-10(13)14-7-15-11/h3-8H,1-2H3,(H,14,15,16,18)
InChIKeyCKGGJEXEFCCXLF-UHFFFAOYSA-N
XLogP2.76
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.72
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-chloropyrimidin-4-yl)-2,5-dimethyl-1-phenyl-1H-imidazole-4-carboxamide
CID 71580550
4-chloro-N-(5-chloro-2-pyridinyl)-1-methyl-1H-pyrazole-5-carboxamide
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N-(5-chloro-2-pyridinyl)-2-ethyl-3-pyrazolecarboxamide
CID 1084322
2-[(2S)-1-(2-amino-5-chloropyrimidin-4-yl)azetidin-2-yl]-5-chloro-3-phenylpyrrolo[2,1-f][1,2,4]triazin-4-one
CID 118445928
4-chloro-N-(5-pyrrolidin-1-yl-2-pyridinyl)pyridine-2-carboxamide
CID 32951968
N-(2-chloro-4-pyridinyl)-1-(4-fluorophenyl)-2,5-dimethylimidazole-4-carboxamide
CID 71718942
N-(2-chloropyrimidin-4-yl)-1-(4-fluorophenyl)-2,5-dimethylimidazole-4-carboxamide
CID 71719558
N-(5-chloropyridin-2-yl)-1-ethylpyrazole-3-carboxamide
CID 891614
6-Chloro-N-(3-imidazol-1-yl-butyl)-nicotinamide
CID 20257589
3-(3-chloro-4-pyridinyl)-4H-imidazo[4,5-b]pyridin-5-one
CID 58345649
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[(dimethylamino)methylene]-1H-pyrrole-2-carboxamide
CID 3251141
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(cyanomethyl)-1H-pyrrole-2-carboxamide
CID 4312589

Frequently Asked Questions

What is the IUPAC name of N-(6-chloropyrimidin-4-yl)-1-propan-2-ylpyrrole-2-carboxamide?
The IUPAC name of N-(6-chloropyrimidin-4-yl)-1-propan-2-ylpyrrole-2-carboxamide (CID 114050020) is N-(6-chloropyrimidin-4-yl)-1-propan-2-ylpyrrole-2-carboxamide.
What is the SMILES notation for N-(6-chloropyrimidin-4-yl)-1-propan-2-ylpyrrole-2-carboxamide?
The canonical SMILES for N-(6-chloropyrimidin-4-yl)-1-propan-2-ylpyrrole-2-carboxamide is CC(C)n1cccc1C(=O)Nc1cc(Cl)ncn1.
What is the InChIKey of N-(6-chloropyrimidin-4-yl)-1-propan-2-ylpyrrole-2-carboxamide?
The InChIKey is CKGGJEXEFCCXLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN4O/c1-8(2)17-5-3-4-9(17)12(18)16-11-6-10(13)14-7-15-11/h3-8H,1-2H3,(H,14,15,16,18).
What are the key properties of N-(6-chloropyrimidin-4-yl)-1-propan-2-ylpyrrole-2-carboxamide?
N-(6-chloropyrimidin-4-yl)-1-propan-2-ylpyrrole-2-carboxamide has a molecular weight of 264.72 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloropyrimidin-4-yl)-1-propan-2-ylpyrrole-2-carboxamide is sourced from PubChem (CID 114050020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).