4-amino-N-(2-chloropyrimidin-4-yl)-1-ethylpyrrole-2-carboxamide

C11H12ClN5O — CID 116794605

IUPAC4-amino-N-(2-chloropyrimidin-4-yl)-1-ethylpyrrole-2-carboxamide
SMILESCCn1cc(N)cc1C(=O)Nc1ccnc(Cl)n1
InChIInChI=1S/C11H12ClN5O/c1-2-17-6-7(13)5-8(17)10(18)15-9-3-4-14-11(12)16-9/h3-6H,2,13H2,1H3,(H,14,15,16,18)
InChIKeyJFKAJZGHBVPIPH-UHFFFAOYSA-N
MW265.70 g/mol
LogP1.79
Rot. Bonds3

About 4-amino-N-(2-chloropyrimidin-4-yl)-1-ethylpyrrole-2-carboxamide

4-amino-N-(2-chloropyrimidin-4-yl)-1-ethylpyrrole-2-carboxamide (PubChem CID 116794605) has the molecular formula C11H12ClN5O and a molecular weight of 265.70 g/mol. Its IUPAC name is 4-amino-N-(2-chloropyrimidin-4-yl)-1-ethylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-(2-chloropyrimidin-4-yl)-1-ethylpyrrole-2-carboxamide
PubChem CID116794605
Molecular FormulaC11H12ClN5O
Molecular Weight265.70 g/mol
Exact Mass265.07
IUPAC Name4-amino-N-(2-chloropyrimidin-4-yl)-1-ethylpyrrole-2-carboxamide
SMILESCCn1cc(N)cc1C(=O)Nc1ccnc(Cl)n1
InChIInChI=1S/C11H12ClN5O/c1-2-17-6-7(13)5-8(17)10(18)15-9-3-4-14-11(12)16-9/h3-6H,2,13H2,1H3,(H,14,15,16,18)
InChIKeyJFKAJZGHBVPIPH-UHFFFAOYSA-N
XLogP1.79
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.70
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-N-(5-chloro-2-pyridinyl)-1-ethylpyrrole-2-carboxamide
CID 43643180
4-amino-1-ethyl-N-(4-methylphenyl)pyrrole-2-carboxamide
CID 43642219
4-amino-1-ethyl-N-(3-methyl-2-pyridinyl)pyrrole-2-carboxamide
CID 43643038
4-amino-N-(5-chloro-2-methoxyphenyl)-1-ethylpyrrole-2-carboxamide
CID 43642936
4-amino-N-(2-chloro-4-methyl-3-pyridinyl)-1-propylpyrrole-2-carboxamide
CID 65489271
4-amino-1-ethyl-N-(2-methylprop-2-enyl)pyrrole-2-carboxamide
CID 114614959
4-amino-N-(3-chloro-5-fluorophenyl)-1-ethylpyrrole-2-carboxamide
CID 107363420
4-amino-N-(3-chloro-4-methoxyphenyl)-1-ethylpyrrole-2-carboxamide
CID 43642694
4-amino-1-ethyl-N-[4-(trifluoromethyl)phenyl]pyrrole-2-carboxamide
CID 43642862
4-amino-N-(1H-benzimidazol-2-yl)-1-ethylpyrrole-2-carboxamide
CID 63563293
N-(2-chloropyrimidin-4-yl)-2-ethylbenzamide
CID 116798386
4-amino-1-ethyl-N-(3-iodophenyl)pyrrole-2-carboxamide
CID 43643246

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-chloropyrimidin-4-yl)-1-ethylpyrrole-2-carboxamide?
The IUPAC name of 4-amino-N-(2-chloropyrimidin-4-yl)-1-ethylpyrrole-2-carboxamide (CID 116794605) is 4-amino-N-(2-chloropyrimidin-4-yl)-1-ethylpyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-N-(2-chloropyrimidin-4-yl)-1-ethylpyrrole-2-carboxamide?
The canonical SMILES for 4-amino-N-(2-chloropyrimidin-4-yl)-1-ethylpyrrole-2-carboxamide is CCn1cc(N)cc1C(=O)Nc1ccnc(Cl)n1.
What is the InChIKey of 4-amino-N-(2-chloropyrimidin-4-yl)-1-ethylpyrrole-2-carboxamide?
The InChIKey is JFKAJZGHBVPIPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN5O/c1-2-17-6-7(13)5-8(17)10(18)15-9-3-4-14-11(12)16-9/h3-6H,2,13H2,1H3,(H,14,15,16,18).
What are the key properties of 4-amino-N-(2-chloropyrimidin-4-yl)-1-ethylpyrrole-2-carboxamide?
4-amino-N-(2-chloropyrimidin-4-yl)-1-ethylpyrrole-2-carboxamide has a molecular weight of 265.70 g/mol, XLogP of 1.79, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-chloropyrimidin-4-yl)-1-ethylpyrrole-2-carboxamide is sourced from PubChem (CID 116794605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).