N-(3-amino-4-methylpentyl)-4-chloro-N-methyl-1-propan-2-ylpyrrole-2-carboxamide

C15H26ClN3O — CID 115317428

IUPACN-(3-amino-4-methylpentyl)-4-chloro-N-methyl-1-propan-2-ylpyrrole-2-carboxamide
SMILESCC(C)C(N)CCN(C)C(=O)c1cc(Cl)cn1C(C)C
InChIInChI=1S/C15H26ClN3O/c1-10(2)13(17)6-7-18(5)15(20)14-8-12(16)9-19(14)11(3)4/h8-11,13H,6-7,17H2,1-5H3
InChIKeyJPGPZUIUSYVRGY-UHFFFAOYSA-N
MW299.85 g/mol
LogP3.17
Rot. Bonds6

About N-(3-amino-4-methylpentyl)-4-chloro-N-methyl-1-propan-2-ylpyrrole-2-carboxamide

N-(3-amino-4-methylpentyl)-4-chloro-N-methyl-1-propan-2-ylpyrrole-2-carboxamide (PubChem CID 115317428) has the molecular formula C15H26ClN3O and a molecular weight of 299.85 g/mol. Its IUPAC name is N-(3-amino-4-methylpentyl)-4-chloro-N-methyl-1-propan-2-ylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(3-amino-4-methylpentyl)-4-chloro-N-methyl-1-propan-2-ylpyrrole-2-carboxamide
PubChem CID115317428
Molecular FormulaC15H26ClN3O
Molecular Weight299.85 g/mol
Exact Mass299.18
IUPAC NameN-(3-amino-4-methylpentyl)-4-chloro-N-methyl-1-propan-2-ylpyrrole-2-carboxamide
SMILESCC(C)C(N)CCN(C)C(=O)c1cc(Cl)cn1C(C)C
InChIInChI=1S/C15H26ClN3O/c1-10(2)13(17)6-7-18(5)15(20)14-8-12(16)9-19(14)11(3)4/h8-11,13H,6-7,17H2,1-5H3
InChIKeyJPGPZUIUSYVRGY-UHFFFAOYSA-N
XLogP3.17
TPSA51.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.85
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methylpentyl)-4-chloro-N-methyl-1-propan-2-ylpyrrole-2-carboxamide?
The IUPAC name of N-(3-amino-4-methylpentyl)-4-chloro-N-methyl-1-propan-2-ylpyrrole-2-carboxamide (CID 115317428) is N-(3-amino-4-methylpentyl)-4-chloro-N-methyl-1-propan-2-ylpyrrole-2-carboxamide.
What is the SMILES notation for N-(3-amino-4-methylpentyl)-4-chloro-N-methyl-1-propan-2-ylpyrrole-2-carboxamide?
The canonical SMILES for N-(3-amino-4-methylpentyl)-4-chloro-N-methyl-1-propan-2-ylpyrrole-2-carboxamide is CC(C)C(N)CCN(C)C(=O)c1cc(Cl)cn1C(C)C.
What is the InChIKey of N-(3-amino-4-methylpentyl)-4-chloro-N-methyl-1-propan-2-ylpyrrole-2-carboxamide?
The InChIKey is JPGPZUIUSYVRGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26ClN3O/c1-10(2)13(17)6-7-18(5)15(20)14-8-12(16)9-19(14)11(3)4/h8-11,13H,6-7,17H2,1-5H3.
What are the key properties of N-(3-amino-4-methylpentyl)-4-chloro-N-methyl-1-propan-2-ylpyrrole-2-carboxamide?
N-(3-amino-4-methylpentyl)-4-chloro-N-methyl-1-propan-2-ylpyrrole-2-carboxamide has a molecular weight of 299.85 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-methylpentyl)-4-chloro-N-methyl-1-propan-2-ylpyrrole-2-carboxamide is sourced from PubChem (CID 115317428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).