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

C17H29N3O — CID 61117906

IUPAC4-amino-N-[(4-ethylcyclohexyl)methyl]-1-propylpyrrole-2-carboxamide
SMILESCCCn1cc(N)cc1C(=O)NCC1CCC(CC)CC1
InChIInChI=1S/C17H29N3O/c1-3-9-20-12-15(18)10-16(20)17(21)19-11-14-7-5-13(4-2)6-8-14/h10,12-14H,3-9,11,18H2,1-2H3,(H,19,21)
InChIKeySOICAROODNFKRK-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.43
Rot. Bonds6

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

4-amino-N-[(4-ethylcyclohexyl)methyl]-1-propylpyrrole-2-carboxamide (PubChem CID 61117906) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is 4-amino-N-[(4-ethylcyclohexyl)methyl]-1-propylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-[(4-ethylcyclohexyl)methyl]-1-propylpyrrole-2-carboxamide
PubChem CID61117906
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC Name4-amino-N-[(4-ethylcyclohexyl)methyl]-1-propylpyrrole-2-carboxamide
SMILESCCCn1cc(N)cc1C(=O)NCC1CCC(CC)CC1
InChIInChI=1S/C17H29N3O/c1-3-9-20-12-15(18)10-16(20)17(21)19-11-14-7-5-13(4-2)6-8-14/h10,12-14H,3-9,11,18H2,1-2H3,(H,19,21)
InChIKeySOICAROODNFKRK-UHFFFAOYSA-N
XLogP3.43
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-[(4-methylcyclohexyl)methyl]-1-propylpyrrole-2-carboxamide
CID 63243289
4-amino-N-[(3-methylcyclopentyl)methyl]-1-propylpyrrole-2-carboxamide
CID 107411013
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-ethylcyclohexyl)methyl]-1-propylpyrrole-2-carboxamide?
The IUPAC name of 4-amino-N-[(4-ethylcyclohexyl)methyl]-1-propylpyrrole-2-carboxamide (CID 61117906) is 4-amino-N-[(4-ethylcyclohexyl)methyl]-1-propylpyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-N-[(4-ethylcyclohexyl)methyl]-1-propylpyrrole-2-carboxamide?
The canonical SMILES for 4-amino-N-[(4-ethylcyclohexyl)methyl]-1-propylpyrrole-2-carboxamide is CCCn1cc(N)cc1C(=O)NCC1CCC(CC)CC1.
What is the InChIKey of 4-amino-N-[(4-ethylcyclohexyl)methyl]-1-propylpyrrole-2-carboxamide?
The InChIKey is SOICAROODNFKRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-3-9-20-12-15(18)10-16(20)17(21)19-11-14-7-5-13(4-2)6-8-14/h10,12-14H,3-9,11,18H2,1-2H3,(H,19,21).
What are the key properties of 4-amino-N-[(4-ethylcyclohexyl)methyl]-1-propylpyrrole-2-carboxamide?
4-amino-N-[(4-ethylcyclohexyl)methyl]-1-propylpyrrole-2-carboxamide has a molecular weight of 291.44 g/mol, XLogP of 3.43, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(4-ethylcyclohexyl)methyl]-1-propylpyrrole-2-carboxamide is sourced from PubChem (CID 61117906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).