4-amino-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-1-methylpyrrole-2-carboxamide

C15H25N3O2 — CID 65117737

IUPAC4-amino-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-1-methylpyrrole-2-carboxamide
SMILESCn1cc(N)cc1C(=O)NCC1(O)CCC(C)(C)CC1
InChIInChI=1S/C15H25N3O2/c1-14(2)4-6-15(20,7-5-14)10-17-13(19)12-8-11(16)9-18(12)3/h8-9,20H,4-7,10,16H2,1-3H3,(H,17,19)
InChIKeyPOQYEUONJQYXSQ-UHFFFAOYSA-N
MW279.38 g/mol
LogP1.67
Rot. Bonds3

About 4-amino-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-1-methylpyrrole-2-carboxamide

4-amino-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-1-methylpyrrole-2-carboxamide (PubChem CID 65117737) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is 4-amino-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-1-methylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-1-methylpyrrole-2-carboxamide
PubChem CID65117737
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name4-amino-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-1-methylpyrrole-2-carboxamide
SMILESCn1cc(N)cc1C(=O)NCC1(O)CCC(C)(C)CC1
InChIInChI=1S/C15H25N3O2/c1-14(2)4-6-15(20,7-5-14)10-17-13(19)12-8-11(16)9-18(12)3/h8-9,20H,4-7,10,16H2,1-3H3,(H,17,19)
InChIKeyPOQYEUONJQYXSQ-UHFFFAOYSA-N
XLogP1.67
TPSA80.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 51.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-[(1-hydroxycyclopentyl)methyl]-1-methylpyrrole-2-carboxamide
CID 65104236
4-bromo-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-1-methylpyrrole-2-carboxamide
CID 65119775
4-amino-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-1-methylpyrrole-2-carboxamide
CID 61210970
4-amino-1-ethyl-N-[(4-hydroxyoxan-4-yl)methyl]pyrrole-2-carboxamide
CID 81134641
N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-1-methyl-2-oxopyridine-4-carboxamide
CID 65119087
4-amino-2-fluoro-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]benzamide
CID 65117447
4-chloro-N-[(4-hydroxyoxan-4-yl)methyl]-1-methylpyrrole-2-carboxamide
CID 79038769
4-amino-N-(2,2-dichloroethyl)-1-methylpyrrole-2-carboxamide
CID 130551753
4-amino-N-[(4-hydroxycyclohexyl)methyl]-1-methylpyrrole-2-carboxamide
CID 106119092
2-amino-5-hydroxy-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]benzamide
CID 107075481
2-amino-5-fluoro-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]benzamide
CID 65117687
4-amino-N-(2-methoxyethyl)-1-methylpyrrole-2-carboxamide
CID 43641937

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-1-methylpyrrole-2-carboxamide?
The IUPAC name of 4-amino-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-1-methylpyrrole-2-carboxamide (CID 65117737) is 4-amino-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-1-methylpyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-1-methylpyrrole-2-carboxamide?
The canonical SMILES for 4-amino-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-1-methylpyrrole-2-carboxamide is Cn1cc(N)cc1C(=O)NCC1(O)CCC(C)(C)CC1.
What is the InChIKey of 4-amino-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-1-methylpyrrole-2-carboxamide?
The InChIKey is POQYEUONJQYXSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-14(2)4-6-15(20,7-5-14)10-17-13(19)12-8-11(16)9-18(12)3/h8-9,20H,4-7,10,16H2,1-3H3,(H,17,19).
What are the key properties of 4-amino-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-1-methylpyrrole-2-carboxamide?
4-amino-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-1-methylpyrrole-2-carboxamide has a molecular weight of 279.38 g/mol, XLogP of 1.67, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-1-methylpyrrole-2-carboxamide is sourced from PubChem (CID 65117737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).