4-amino-1-cyclopropyl-N-[(1S,2S)-2-hydroxycyclohexyl]pyrrole-2-carboxamide

C14H21N3O2 — CID 107211253

IUPAC4-amino-1-cyclopropyl-N-[(1S,2S)-2-hydroxycyclohexyl]pyrrole-2-carboxamide
SMILESNc1cc(C(=O)N[C@H]2CCCC[C@@H]2O)n(C2CC2)c1
InChIInChI=1S/C14H21N3O2/c15-9-7-12(17(8-9)10-5-6-10)14(19)16-11-3-1-2-4-13(11)18/h7-8,10-11,13,18H,1-6,15H2,(H,16,19)/t11-,13-/m0/s1
InChIKeyIOUOTWKDBTWESD-AAEUAGOBSA-N
MW263.34 g/mol
LogP1.44
Rot. Bonds3

About 4-amino-1-cyclopropyl-N-[(1S,2S)-2-hydroxycyclohexyl]pyrrole-2-carboxamide

4-amino-1-cyclopropyl-N-[(1S,2S)-2-hydroxycyclohexyl]pyrrole-2-carboxamide (PubChem CID 107211253) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 4-amino-1-cyclopropyl-N-[(1S,2S)-2-hydroxycyclohexyl]pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-1-cyclopropyl-N-[(1S,2S)-2-hydroxycyclohexyl]pyrrole-2-carboxamide
PubChem CID107211253
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name4-amino-1-cyclopropyl-N-[(1S,2S)-2-hydroxycyclohexyl]pyrrole-2-carboxamide
SMILESNc1cc(C(=O)N[C@H]2CCCC[C@@H]2O)n(C2CC2)c1
InChIInChI=1S/C14H21N3O2/c15-9-7-12(17(8-9)10-5-6-10)14(19)16-11-3-1-2-4-13(11)18/h7-8,10-11,13,18H,1-6,15H2,(H,16,19)/t11-,13-/m0/s1
InChIKeyIOUOTWKDBTWESD-AAEUAGOBSA-N
XLogP1.44
TPSA80.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-(cyclohexylmethyl)-1-cyclopropylpyrrole-2-carboxamide
CID 43643527
4-amino-1-cyclopropyl-N-(1-methylpyrrolidin-3-yl)pyrrole-2-carboxamide
CID 54949762
4-amino-1-cyclopropyl-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]pyrrole-2-carboxamide
CID 107864320
4-amino-1-cyclopropyl-N-(1-methyl-2-oxopyrrolidin-3-yl)pyrrole-2-carboxamide
CID 106249461
4-amino-1-cyclopropyl-N-(1-ethylpiperidin-4-yl)pyrrole-2-carboxamide
CID 61139290
4-amino-1-cyclopropyl-N-(3-methylbutan-2-yl)pyrrole-2-carboxamide
CID 43643307
4-amino-1-cyclopropyl-N-(6-oxopiperidin-3-yl)pyrrole-2-carboxamide
CID 63661508
4-amino-N-(3-amino-3-oxopropyl)-1-cyclopropylpyrrole-2-carboxamide
CID 43643776
1-cyclobutyl-N-(2-hydroxycycloheptyl)pyrrole-2-carboxamide
CID 114609767
4-amino-1-cyclopropyl-N-prop-2-enylpyrrole-2-carboxamide
CID 61117214
4-amino-1-cyclopropyl-N-(4-hydroxybutan-2-yl)pyrrole-2-carboxamide
CID 83176737
N-(2-aminocyclopropyl)-4-bromo-1-cyclopropylpyrrole-2-carboxamide
CID 43640446

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-cyclopropyl-N-[(1S,2S)-2-hydroxycyclohexyl]pyrrole-2-carboxamide?
The IUPAC name of 4-amino-1-cyclopropyl-N-[(1S,2S)-2-hydroxycyclohexyl]pyrrole-2-carboxamide (CID 107211253) is 4-amino-1-cyclopropyl-N-[(1S,2S)-2-hydroxycyclohexyl]pyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-1-cyclopropyl-N-[(1S,2S)-2-hydroxycyclohexyl]pyrrole-2-carboxamide?
The canonical SMILES for 4-amino-1-cyclopropyl-N-[(1S,2S)-2-hydroxycyclohexyl]pyrrole-2-carboxamide is Nc1cc(C(=O)N[C@H]2CCCC[C@@H]2O)n(C2CC2)c1.
What is the InChIKey of 4-amino-1-cyclopropyl-N-[(1S,2S)-2-hydroxycyclohexyl]pyrrole-2-carboxamide?
The InChIKey is IOUOTWKDBTWESD-AAEUAGOBSA-N. The full InChI is InChI=1S/C14H21N3O2/c15-9-7-12(17(8-9)10-5-6-10)14(19)16-11-3-1-2-4-13(11)18/h7-8,10-11,13,18H,1-6,15H2,(H,16,19)/t11-,13-/m0/s1.
What are the key properties of 4-amino-1-cyclopropyl-N-[(1S,2S)-2-hydroxycyclohexyl]pyrrole-2-carboxamide?
4-amino-1-cyclopropyl-N-[(1S,2S)-2-hydroxycyclohexyl]pyrrole-2-carboxamide has a molecular weight of 263.34 g/mol, XLogP of 1.44, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-cyclopropyl-N-[(1S,2S)-2-hydroxycyclohexyl]pyrrole-2-carboxamide is sourced from PubChem (CID 107211253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).