4-amino-N,N-dicyclohexyl-1H-pyrrole-2-carboxamide

C17H27N3O — CID 43642543

IUPAC4-amino-N,N-dicyclohexyl-1H-pyrrole-2-carboxamide
SMILESNc1c[nH]c(C(=O)N(C2CCCCC2)C2CCCCC2)c1
InChIInChI=1S/C17H27N3O/c18-13-11-16(19-12-13)17(21)20(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h11-12,14-15,19H,1-10,18H2
InChIKeyXDVMCKUFXOTLSJ-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.70
Rot. Bonds3

About 4-amino-N,N-dicyclohexyl-1H-pyrrole-2-carboxamide

4-amino-N,N-dicyclohexyl-1H-pyrrole-2-carboxamide (PubChem CID 43642543) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 4-amino-N,N-dicyclohexyl-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-N,N-dicyclohexyl-1H-pyrrole-2-carboxamide
PubChem CID43642543
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name4-amino-N,N-dicyclohexyl-1H-pyrrole-2-carboxamide
SMILESNc1c[nH]c(C(=O)N(C2CCCCC2)C2CCCCC2)c1
InChIInChI=1S/C17H27N3O/c18-13-11-16(19-12-13)17(21)20(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h11-12,14-15,19H,1-10,18H2
InChIKeyXDVMCKUFXOTLSJ-UHFFFAOYSA-N
XLogP3.70
TPSA62.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-N-cyclopentyl-N-[2-(dimethylamino)ethyl]-1H-pyrrole-2-carboxamide
CID 61114401
4-amino-N-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-N-methyl-1H-pyrrole-2-carboxamide
CID 61109567
4-amino-N-methyl-N-(2-methylcyclohexyl)-1H-pyrrole-2-carboxamide
CID 61107798
3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-(4-amino-1H-pyrrol-2-yl)methanone
CID 115558672
4-amino-N-[(2-hydroxycyclohexyl)methyl]-1H-pyrrole-2-carboxamide
CID 64927605
(4-amino-1H-pyrrol-2-yl)-(4-hydroxypiperidin-1-yl)methanone
CID 43642092
(4-amino-1H-pyrrol-2-yl)-(3,4-dihydroxypyrrolidin-1-yl)methanone
CID 106666945
4-bromo-N-cyclohexyl-N-(2-hydroxyethyl)-1H-pyrrole-2-carboxamide
CID 54942689
4-amino-N,N-bis(cyanomethyl)-1H-pyrrole-2-carboxamide
CID 43642564
4-amino-N-methyl-N-(2-pyrrolidin-1-ylethyl)-1H-pyrrole-2-carboxamide
CID 63206983
4-amino-N-piperidin-1-yl-1H-pyrrole-2-carboxamide
CID 83012564
4-amino-N-methyl-N-phenyl-1H-pyrrole-2-carboxamide
CID 43641987

Frequently Asked Questions

What is the IUPAC name of 4-amino-N,N-dicyclohexyl-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-amino-N,N-dicyclohexyl-1H-pyrrole-2-carboxamide (CID 43642543) is 4-amino-N,N-dicyclohexyl-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-N,N-dicyclohexyl-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-amino-N,N-dicyclohexyl-1H-pyrrole-2-carboxamide is Nc1c[nH]c(C(=O)N(C2CCCCC2)C2CCCCC2)c1.
What is the InChIKey of 4-amino-N,N-dicyclohexyl-1H-pyrrole-2-carboxamide?
The InChIKey is XDVMCKUFXOTLSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c18-13-11-16(19-12-13)17(21)20(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h11-12,14-15,19H,1-10,18H2.
What are the key properties of 4-amino-N,N-dicyclohexyl-1H-pyrrole-2-carboxamide?
4-amino-N,N-dicyclohexyl-1H-pyrrole-2-carboxamide has a molecular weight of 289.42 g/mol, XLogP of 3.70, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N,N-dicyclohexyl-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 43642543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).