4-amino-N-(5-hydroxypentyl)-N-methyl-1-propylpyrrole-2-carboxamide

C14H25N3O2 — CID 107197417

IUPAC4-amino-N-(5-hydroxypentyl)-N-methyl-1-propylpyrrole-2-carboxamide
SMILESCCCn1cc(N)cc1C(=O)N(C)CCCCCO
InChIInChI=1S/C14H25N3O2/c1-3-7-17-11-12(15)10-13(17)14(19)16(2)8-5-4-6-9-18/h10-11,18H,3-9,15H2,1-2H3
InChIKeyPSKMSKXPXRRRDA-UHFFFAOYSA-N
MW267.37 g/mol
LogP1.71
Rot. Bonds8

About 4-amino-N-(5-hydroxypentyl)-N-methyl-1-propylpyrrole-2-carboxamide

4-amino-N-(5-hydroxypentyl)-N-methyl-1-propylpyrrole-2-carboxamide (PubChem CID 107197417) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is 4-amino-N-(5-hydroxypentyl)-N-methyl-1-propylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-(5-hydroxypentyl)-N-methyl-1-propylpyrrole-2-carboxamide
PubChem CID107197417
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC Name4-amino-N-(5-hydroxypentyl)-N-methyl-1-propylpyrrole-2-carboxamide
SMILESCCCn1cc(N)cc1C(=O)N(C)CCCCCO
InChIInChI=1S/C14H25N3O2/c1-3-7-17-11-12(15)10-13(17)14(19)16(2)8-5-4-6-9-18/h10-11,18H,3-9,15H2,1-2H3
InChIKeyPSKMSKXPXRRRDA-UHFFFAOYSA-N
XLogP1.71
TPSA71.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-amino-1-ethyl-N-methyl-N-propylpyrrole-2-carboxamide
CID 43643448
4-amino-N-(2-hydroxy-2-methylpropyl)-N-methyl-1-propylpyrrole-2-carboxamide
CID 79385261
4-amino-N-pentyl-N-propan-2-yl-1-propylpyrrole-2-carboxamide
CID 61106564
4-amino-1-ethyl-N-(3-methoxypropyl)-N-methylpyrrole-2-carboxamide
CID 62984457
4-amino-N-cyclopropyl-N,1-dipropylpyrrole-2-carboxamide
CID 43643445
4-amino-N-methyl-N-[(2-methylphenyl)methyl]-1-propylpyrrole-2-carboxamide
CID 43643888
4-amino-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-propylpyrrole-2-carboxamide
CID 61114885
4-amino-N-methyl-1-propyl-N-(thiophen-3-ylmethyl)pyrrole-2-carboxamide
CID 43643682
4-amino-N-[(2-bromophenyl)methyl]-N-methyl-1-propylpyrrole-2-carboxamide
CID 61113889
N-(3-aminopropyl)-N-methyl-4-nitro-1-propylpyrrole-2-carboxamide
CID 115318930
4-amino-N-[(3-bromophenyl)methyl]-N-methyl-1-propylpyrrole-2-carboxamide
CID 61140816
4-amino-N-methyl-1-propyl-N-pyridin-4-ylpyrrole-2-carboxamide
CID 106934249

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(5-hydroxypentyl)-N-methyl-1-propylpyrrole-2-carboxamide?
The IUPAC name of 4-amino-N-(5-hydroxypentyl)-N-methyl-1-propylpyrrole-2-carboxamide (CID 107197417) is 4-amino-N-(5-hydroxypentyl)-N-methyl-1-propylpyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-N-(5-hydroxypentyl)-N-methyl-1-propylpyrrole-2-carboxamide?
The canonical SMILES for 4-amino-N-(5-hydroxypentyl)-N-methyl-1-propylpyrrole-2-carboxamide is CCCn1cc(N)cc1C(=O)N(C)CCCCCO.
What is the InChIKey of 4-amino-N-(5-hydroxypentyl)-N-methyl-1-propylpyrrole-2-carboxamide?
The InChIKey is PSKMSKXPXRRRDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-3-7-17-11-12(15)10-13(17)14(19)16(2)8-5-4-6-9-18/h10-11,18H,3-9,15H2,1-2H3.
What are the key properties of 4-amino-N-(5-hydroxypentyl)-N-methyl-1-propylpyrrole-2-carboxamide?
4-amino-N-(5-hydroxypentyl)-N-methyl-1-propylpyrrole-2-carboxamide has a molecular weight of 267.37 g/mol, XLogP of 1.71, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(5-hydroxypentyl)-N-methyl-1-propylpyrrole-2-carboxamide is sourced from PubChem (CID 107197417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).