N-(2-tert-butylpyrimidin-5-yl)-1-cyclopropyl-2,5-dimethylpyrrole-3-carboxamide

C18H24N4O — CID 75417454

IUPACN-(2-tert-butylpyrimidin-5-yl)-1-cyclopropyl-2,5-dimethylpyrrole-3-carboxamide
SMILESCc1cc(C(=O)Nc2cnc(C(C)(C)C)nc2)c(C)n1C1CC1
InChIInChI=1S/C18H24N4O/c1-11-8-15(12(2)22(11)14-6-7-14)16(23)21-13-9-19-17(20-10-13)18(3,4)5/h8-10,14H,6-7H2,1-5H3,(H,21,23)
InChIKeyWNNPIVTUKHRALJ-UHFFFAOYSA-N
MW312.42 g/mol
LogP3.78
Rot. Bonds3

About N-(2-tert-butylpyrimidin-5-yl)-1-cyclopropyl-2,5-dimethylpyrrole-3-carboxamide

N-(2-tert-butylpyrimidin-5-yl)-1-cyclopropyl-2,5-dimethylpyrrole-3-carboxamide (PubChem CID 75417454) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is N-(2-tert-butylpyrimidin-5-yl)-1-cyclopropyl-2,5-dimethylpyrrole-3-carboxamide.

Molecular Properties

Compound NameN-(2-tert-butylpyrimidin-5-yl)-1-cyclopropyl-2,5-dimethylpyrrole-3-carboxamide
PubChem CID75417454
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC NameN-(2-tert-butylpyrimidin-5-yl)-1-cyclopropyl-2,5-dimethylpyrrole-3-carboxamide
SMILESCc1cc(C(=O)Nc2cnc(C(C)(C)C)nc2)c(C)n1C1CC1
InChIInChI=1S/C18H24N4O/c1-11-8-15(12(2)22(11)14-6-7-14)16(23)21-13-9-19-17(20-10-13)18(3,4)5/h8-10,14H,6-7H2,1-5H3,(H,21,23)
InChIKeyWNNPIVTUKHRALJ-UHFFFAOYSA-N
XLogP3.78
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclopropyl-2,5-dimethyl-N-(4-methylphenyl)pyrrole-3-carboxamide
CID 17471885
1-cyclopropyl-N-[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]-2,5-dimethylpyrrole-3-carboxamide
CID 94819448
2-[4-[(1-cyclohexyl-2,5-dimethylpyrrole-3-carbonyl)amino]pyrazol-1-yl]-2-methylpropanoic acid
CID 120696368
1-cyclohexyl-2,5-dimethyl-N-(1H-pyrazol-4-yl)pyrrole-3-carboxamide
CID 132968634
diethyl 5-[(1-cyclopropyl-2,5-dimethylpyrrole-3-carbonyl)amino]benzene-1,3-dicarboxylate
CID 39964628
1-cyclopropyl-N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-2,5-dimethylpyrrole-3-carboxamide
CID 9298756
1-cyclopropyl-2,5-dimethyl-N-(4-methylphenyl)sulfonylpyrrole-3-carboxamide
CID 2325885
1-cyclopropyl-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2,5-dimethylpyrrole-3-carboxamide
CID 71943860
methyl 2-[4-[(1-cyclohexyl-2,5-dimethylpyrrole-3-carbonyl)amino]phenoxy]acetate
CID 55962259
1-cyclopropyl-N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-2,5-dimethylpyrrole-3-carboxamide
CID 17489909
N-(2-tert-butylpyrimidin-5-yl)piperidine-4-carboxamide;hydrochloride
CID 119305621
N-(1-amino-2-methylpropan-2-yl)-1-cyclohexyl-2,5-dimethylpyrrole-3-carboxamide;hydrochloride
CID 119522503

Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butylpyrimidin-5-yl)-1-cyclopropyl-2,5-dimethylpyrrole-3-carboxamide?
The IUPAC name of N-(2-tert-butylpyrimidin-5-yl)-1-cyclopropyl-2,5-dimethylpyrrole-3-carboxamide (CID 75417454) is N-(2-tert-butylpyrimidin-5-yl)-1-cyclopropyl-2,5-dimethylpyrrole-3-carboxamide.
What is the SMILES notation for N-(2-tert-butylpyrimidin-5-yl)-1-cyclopropyl-2,5-dimethylpyrrole-3-carboxamide?
The canonical SMILES for N-(2-tert-butylpyrimidin-5-yl)-1-cyclopropyl-2,5-dimethylpyrrole-3-carboxamide is Cc1cc(C(=O)Nc2cnc(C(C)(C)C)nc2)c(C)n1C1CC1.
What is the InChIKey of N-(2-tert-butylpyrimidin-5-yl)-1-cyclopropyl-2,5-dimethylpyrrole-3-carboxamide?
The InChIKey is WNNPIVTUKHRALJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O/c1-11-8-15(12(2)22(11)14-6-7-14)16(23)21-13-9-19-17(20-10-13)18(3,4)5/h8-10,14H,6-7H2,1-5H3,(H,21,23).
What are the key properties of N-(2-tert-butylpyrimidin-5-yl)-1-cyclopropyl-2,5-dimethylpyrrole-3-carboxamide?
N-(2-tert-butylpyrimidin-5-yl)-1-cyclopropyl-2,5-dimethylpyrrole-3-carboxamide has a molecular weight of 312.42 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butylpyrimidin-5-yl)-1-cyclopropyl-2,5-dimethylpyrrole-3-carboxamide is sourced from PubChem (CID 75417454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).