4-amino-N-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-N-methyl-1H-pyrrole-2-carboxamide

C15H24N4O2 — CID 61109567

IUPAC4-amino-N-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-N-methyl-1H-pyrrole-2-carboxamide
SMILESCN(CC(=O)N(C)C1CCCCC1)C(=O)c1cc(N)c[nH]1
InChIInChI=1S/C15H24N4O2/c1-18(15(21)13-8-11(16)9-17-13)10-14(20)19(2)12-6-4-3-5-7-12/h8-9,12,17H,3-7,10,16H2,1-2H3
InChIKeyQEFDYHXDOPUJAS-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.46
Rot. Bonds4

About 4-amino-N-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-N-methyl-1H-pyrrole-2-carboxamide

4-amino-N-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-N-methyl-1H-pyrrole-2-carboxamide (PubChem CID 61109567) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is 4-amino-N-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-N-methyl-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-N-methyl-1H-pyrrole-2-carboxamide
PubChem CID61109567
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Name4-amino-N-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-N-methyl-1H-pyrrole-2-carboxamide
SMILESCN(CC(=O)N(C)C1CCCCC1)C(=O)c1cc(N)c[nH]1
InChIInChI=1S/C15H24N4O2/c1-18(15(21)13-8-11(16)9-17-13)10-14(20)19(2)12-6-4-3-5-7-12/h8-9,12,17H,3-7,10,16H2,1-2H3
InChIKeyQEFDYHXDOPUJAS-UHFFFAOYSA-N
XLogP1.46
TPSA82.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-N-methyl-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-amino-N-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-N-methyl-1H-pyrrole-2-carboxamide (CID 61109567) is 4-amino-N-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-N-methyl-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-N-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-N-methyl-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-amino-N-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-N-methyl-1H-pyrrole-2-carboxamide is CN(CC(=O)N(C)C1CCCCC1)C(=O)c1cc(N)c[nH]1.
What is the InChIKey of 4-amino-N-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-N-methyl-1H-pyrrole-2-carboxamide?
The InChIKey is QEFDYHXDOPUJAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-18(15(21)13-8-11(16)9-17-13)10-14(20)19(2)12-6-4-3-5-7-12/h8-9,12,17H,3-7,10,16H2,1-2H3.
What are the key properties of 4-amino-N-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-N-methyl-1H-pyrrole-2-carboxamide?
4-amino-N-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-N-methyl-1H-pyrrole-2-carboxamide has a molecular weight of 292.38 g/mol, XLogP of 1.46, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-N-methyl-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 61109567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).