4-amino-N-[(3-methylcyclopentyl)methyl]-1-propylpyrrole-2-carboxamide

C15H25N3O — CID 107411013

IUPAC4-amino-N-[(3-methylcyclopentyl)methyl]-1-propylpyrrole-2-carboxamide
SMILESCCCn1cc(N)cc1C(=O)NCC1CCC(C)C1
InChIInChI=1S/C15H25N3O/c1-3-6-18-10-13(16)8-14(18)15(19)17-9-12-5-4-11(2)7-12/h8,10-12H,3-7,9,16H2,1-2H3,(H,17,19)
InChIKeyFOGDDXZYUNQIIS-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.65
Rot. Bonds5

About 4-amino-N-[(3-methylcyclopentyl)methyl]-1-propylpyrrole-2-carboxamide

4-amino-N-[(3-methylcyclopentyl)methyl]-1-propylpyrrole-2-carboxamide (PubChem CID 107411013) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 4-amino-N-[(3-methylcyclopentyl)methyl]-1-propylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-[(3-methylcyclopentyl)methyl]-1-propylpyrrole-2-carboxamide
PubChem CID107411013
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name4-amino-N-[(3-methylcyclopentyl)methyl]-1-propylpyrrole-2-carboxamide
SMILESCCCn1cc(N)cc1C(=O)NCC1CCC(C)C1
InChIInChI=1S/C15H25N3O/c1-3-6-18-10-13(16)8-14(18)15(19)17-9-12-5-4-11(2)7-12/h8,10-12H,3-7,9,16H2,1-2H3,(H,17,19)
InChIKeyFOGDDXZYUNQIIS-UHFFFAOYSA-N
XLogP2.65
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.65
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-[(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-amino-1-ethyl-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]pyrrole-2-carboxamide
CID 61140181
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-1-ethyl-N-[(3-hydroxycyclohexyl)methyl]pyrrole-2-carboxamide
CID 106118907
4-amino-N-(2-cyclopropyl-2-hydroxyethyl)-1-propylpyrrole-2-carboxamide
CID 63294148
4-amino-N-[2-(carbamoylamino)ethyl]-1-propylpyrrole-2-carboxamide
CID 83107929
4-amino-N-(4-hydroxycyclohexyl)-1-propylpyrrole-2-carboxamide
CID 43642114
4-amino-N-[(4-ethylmorpholin-2-yl)methyl]-1-propylpyrrole-2-carboxamide
CID 114398981
4-amino-N-[(4-hydroxycyclohexyl)methyl]-1-methylpyrrole-2-carboxamide
CID 106119092

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(3-methylcyclopentyl)methyl]-1-propylpyrrole-2-carboxamide?
The IUPAC name of 4-amino-N-[(3-methylcyclopentyl)methyl]-1-propylpyrrole-2-carboxamide (CID 107411013) is 4-amino-N-[(3-methylcyclopentyl)methyl]-1-propylpyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-N-[(3-methylcyclopentyl)methyl]-1-propylpyrrole-2-carboxamide?
The canonical SMILES for 4-amino-N-[(3-methylcyclopentyl)methyl]-1-propylpyrrole-2-carboxamide is CCCn1cc(N)cc1C(=O)NCC1CCC(C)C1.
What is the InChIKey of 4-amino-N-[(3-methylcyclopentyl)methyl]-1-propylpyrrole-2-carboxamide?
The InChIKey is FOGDDXZYUNQIIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-3-6-18-10-13(16)8-14(18)15(19)17-9-12-5-4-11(2)7-12/h8,10-12H,3-7,9,16H2,1-2H3,(H,17,19).
What are the key properties of 4-amino-N-[(3-methylcyclopentyl)methyl]-1-propylpyrrole-2-carboxamide?
4-amino-N-[(3-methylcyclopentyl)methyl]-1-propylpyrrole-2-carboxamide has a molecular weight of 263.38 g/mol, XLogP of 2.65, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(3-methylcyclopentyl)methyl]-1-propylpyrrole-2-carboxamide is sourced from PubChem (CID 107411013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).