4-amino-N-[(4-methylcyclohexyl)methyl]-1-propylpyrrole-2-carboxamide

C16H27N3O — CID 63243289

IUPAC4-amino-N-[(4-methylcyclohexyl)methyl]-1-propylpyrrole-2-carboxamide
SMILESCCCn1cc(N)cc1C(=O)NCC1CCC(C)CC1
InChIInChI=1S/C16H27N3O/c1-3-8-19-11-14(17)9-15(19)16(20)18-10-13-6-4-12(2)5-7-13/h9,11-13H,3-8,10,17H2,1-2H3,(H,18,20)
InChIKeyJYAHXMAGMNTVDT-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.04
Rot. Bonds5

About 4-amino-N-[(4-methylcyclohexyl)methyl]-1-propylpyrrole-2-carboxamide

4-amino-N-[(4-methylcyclohexyl)methyl]-1-propylpyrrole-2-carboxamide (PubChem CID 63243289) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 4-amino-N-[(4-methylcyclohexyl)methyl]-1-propylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-[(4-methylcyclohexyl)methyl]-1-propylpyrrole-2-carboxamide
PubChem CID63243289
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name4-amino-N-[(4-methylcyclohexyl)methyl]-1-propylpyrrole-2-carboxamide
SMILESCCCn1cc(N)cc1C(=O)NCC1CCC(C)CC1
InChIInChI=1S/C16H27N3O/c1-3-8-19-11-14(17)9-15(19)16(20)18-10-13-6-4-12(2)5-7-13/h9,11-13H,3-8,10,17H2,1-2H3,(H,18,20)
InChIKeyJYAHXMAGMNTVDT-UHFFFAOYSA-N
XLogP3.04
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-[(3-methylcyclopentyl)methyl]-1-propylpyrrole-2-carboxamide
CID 107411013
4-amino-N-[(4-ethylcyclohexyl)methyl]-1-propylpyrrole-2-carboxamide
CID 61117906
4-amino-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1-propylpyrrole-2-carboxamide
CID 61208494
4-bromo-N-(cyclopropylmethyl)-1-propylpyrrole-2-carboxamide
CID 43640684
4-amino-N-[(1,1-dioxothiolan-2-yl)methyl]-1-propylpyrrole-2-carboxamide
CID 81042446
4-amino-N-(2-cyclopropyl-2-hydroxyethyl)-1-propylpyrrole-2-carboxamide
CID 63294148
4-amino-1-ethyl-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]pyrrole-2-carboxamide
CID 61140181
4-amino-N-[(4-hydroxycyclohexyl)methyl]-1-methylpyrrole-2-carboxamide
CID 106119092
4-amino-N-[2-(carbamoylamino)ethyl]-1-propylpyrrole-2-carboxamide
CID 83107929
4-amino-N-(4-hydroxycyclohexyl)-1-propylpyrrole-2-carboxamide
CID 43642114
4-bromo-N-(oxan-4-ylmethyl)-1-propylpyrrole-2-carboxamide
CID 55226070
4-amino-N-[(4-ethylmorpholin-2-yl)methyl]-1-propylpyrrole-2-carboxamide
CID 114398981

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(4-methylcyclohexyl)methyl]-1-propylpyrrole-2-carboxamide?
The IUPAC name of 4-amino-N-[(4-methylcyclohexyl)methyl]-1-propylpyrrole-2-carboxamide (CID 63243289) is 4-amino-N-[(4-methylcyclohexyl)methyl]-1-propylpyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-N-[(4-methylcyclohexyl)methyl]-1-propylpyrrole-2-carboxamide?
The canonical SMILES for 4-amino-N-[(4-methylcyclohexyl)methyl]-1-propylpyrrole-2-carboxamide is CCCn1cc(N)cc1C(=O)NCC1CCC(C)CC1.
What is the InChIKey of 4-amino-N-[(4-methylcyclohexyl)methyl]-1-propylpyrrole-2-carboxamide?
The InChIKey is JYAHXMAGMNTVDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-3-8-19-11-14(17)9-15(19)16(20)18-10-13-6-4-12(2)5-7-13/h9,11-13H,3-8,10,17H2,1-2H3,(H,18,20).
What are the key properties of 4-amino-N-[(4-methylcyclohexyl)methyl]-1-propylpyrrole-2-carboxamide?
4-amino-N-[(4-methylcyclohexyl)methyl]-1-propylpyrrole-2-carboxamide has a molecular weight of 277.41 g/mol, XLogP of 3.04, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(4-methylcyclohexyl)methyl]-1-propylpyrrole-2-carboxamide is sourced from PubChem (CID 63243289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).