4-amino-N-[(4-hydroxycyclohexyl)methyl]-1-methylpyrrole-2-carboxamide

C13H21N3O2 — CID 106119092

IUPAC4-amino-N-[(4-hydroxycyclohexyl)methyl]-1-methylpyrrole-2-carboxamide
SMILESCn1cc(N)cc1C(=O)NCC1CCC(O)CC1
InChIInChI=1S/C13H21N3O2/c1-16-8-10(14)6-12(16)13(18)15-7-9-2-4-11(17)5-3-9/h6,8-9,11,17H,2-5,7,14H2,1H3,(H,15,18)
InChIKeyQQCCAQGVOVQITR-UHFFFAOYSA-N
MW251.33 g/mol
LogP0.89
Rot. Bonds3

About 4-amino-N-[(4-hydroxycyclohexyl)methyl]-1-methylpyrrole-2-carboxamide

4-amino-N-[(4-hydroxycyclohexyl)methyl]-1-methylpyrrole-2-carboxamide (PubChem CID 106119092) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 4-amino-N-[(4-hydroxycyclohexyl)methyl]-1-methylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-[(4-hydroxycyclohexyl)methyl]-1-methylpyrrole-2-carboxamide
PubChem CID106119092
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name4-amino-N-[(4-hydroxycyclohexyl)methyl]-1-methylpyrrole-2-carboxamide
SMILESCn1cc(N)cc1C(=O)NCC1CCC(O)CC1
InChIInChI=1S/C13H21N3O2/c1-16-8-10(14)6-12(16)13(18)15-7-9-2-4-11(17)5-3-9/h6,8-9,11,17H,2-5,7,14H2,1H3,(H,15,18)
InChIKeyQQCCAQGVOVQITR-UHFFFAOYSA-N
XLogP0.89
TPSA80.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 50.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-[(4-methylcyclohexyl)methyl]-1-propylpyrrole-2-carboxamide
CID 63243289
4-amino-N-[(4-ethylcyclohexyl)methyl]-1-propylpyrrole-2-carboxamide
CID 61117906
N-[(4-hydroxycyclohexyl)methyl]-2,5-dimethylpyrazole-3-carboxamide
CID 106121963
4-amino-N-[(4-hydroxycyclohexyl)methyl]-1-methylpyrazole-3-carboxamide
CID 106119084
4-amino-N-(2-methoxyethyl)-1-methylpyrrole-2-carboxamide
CID 43641937
4-amino-N-[(3-methylcyclopentyl)methyl]-1-propylpyrrole-2-carboxamide
CID 107411013
4-amino-N-(2,2-dichloroethyl)-1-methylpyrrole-2-carboxamide
CID 130551753
methyl 3-[(4-amino-1-methylpyrrole-2-carbonyl)amino]propanoate
CID 43665875
4-amino-N-(cyclohexylmethyl)-1-cyclopropylpyrrole-2-carboxamide
CID 43643527
4-amino-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-1-methylpyrrole-2-carboxamide
CID 65117737
4-amino-1-ethyl-N-[(3-hydroxycyclohexyl)methyl]pyrrole-2-carboxamide
CID 106118907
4-amino-1-methyl-N-(2-methylprop-2-enyl)pyrrole-2-carboxamide
CID 114614945

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(4-hydroxycyclohexyl)methyl]-1-methylpyrrole-2-carboxamide?
The IUPAC name of 4-amino-N-[(4-hydroxycyclohexyl)methyl]-1-methylpyrrole-2-carboxamide (CID 106119092) is 4-amino-N-[(4-hydroxycyclohexyl)methyl]-1-methylpyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-N-[(4-hydroxycyclohexyl)methyl]-1-methylpyrrole-2-carboxamide?
The canonical SMILES for 4-amino-N-[(4-hydroxycyclohexyl)methyl]-1-methylpyrrole-2-carboxamide is Cn1cc(N)cc1C(=O)NCC1CCC(O)CC1.
What is the InChIKey of 4-amino-N-[(4-hydroxycyclohexyl)methyl]-1-methylpyrrole-2-carboxamide?
The InChIKey is QQCCAQGVOVQITR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-16-8-10(14)6-12(16)13(18)15-7-9-2-4-11(17)5-3-9/h6,8-9,11,17H,2-5,7,14H2,1H3,(H,15,18).
What are the key properties of 4-amino-N-[(4-hydroxycyclohexyl)methyl]-1-methylpyrrole-2-carboxamide?
4-amino-N-[(4-hydroxycyclohexyl)methyl]-1-methylpyrrole-2-carboxamide has a molecular weight of 251.33 g/mol, XLogP of 0.89, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(4-hydroxycyclohexyl)methyl]-1-methylpyrrole-2-carboxamide is sourced from PubChem (CID 106119092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).