4-amino-1-propan-2-yl-N-(1-pyridin-4-ylethyl)pyrrole-2-carboxamide

C15H20N4O — CID 43643647

IUPAC4-amino-1-propan-2-yl-N-(1-pyridin-4-ylethyl)pyrrole-2-carboxamide
SMILESCC(NC(=O)c1cc(N)cn1C(C)C)c1ccncc1
InChIInChI=1S/C15H20N4O/c1-10(2)19-9-13(16)8-14(19)15(20)18-11(3)12-4-6-17-7-5-12/h4-11H,16H2,1-3H3,(H,18,20)
InChIKeyNLJBPWCZRFFWDZ-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.54
Rot. Bonds4

About 4-amino-1-propan-2-yl-N-(1-pyridin-4-ylethyl)pyrrole-2-carboxamide

4-amino-1-propan-2-yl-N-(1-pyridin-4-ylethyl)pyrrole-2-carboxamide (PubChem CID 43643647) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 4-amino-1-propan-2-yl-N-(1-pyridin-4-ylethyl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-1-propan-2-yl-N-(1-pyridin-4-ylethyl)pyrrole-2-carboxamide
PubChem CID43643647
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name4-amino-1-propan-2-yl-N-(1-pyridin-4-ylethyl)pyrrole-2-carboxamide
SMILESCC(NC(=O)c1cc(N)cn1C(C)C)c1ccncc1
InChIInChI=1S/C15H20N4O/c1-10(2)19-9-13(16)8-14(19)15(20)18-11(3)12-4-6-17-7-5-12/h4-11H,16H2,1-3H3,(H,18,20)
InChIKeyNLJBPWCZRFFWDZ-UHFFFAOYSA-N
XLogP2.54
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-[1-(5-methylfuran-2-yl)ethyl]-1-propan-2-ylpyrrole-2-carboxamide
CID 61141048
4-amino-1-propan-2-yl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyrrole-2-carboxamide
CID 106281034
4-bromo-N-[1-(4-bromophenyl)ethyl]-1-propan-2-ylpyrrole-2-carboxamide
CID 63529150
4-amino-N-[(3-methyl-4-pyridinyl)methyl]-1-propan-2-ylpyrrole-2-carboxamide
CID 114698174
4-amino-N-(1-methoxypropan-2-yl)-1-propan-2-ylpyrrole-2-carboxamide
CID 43642719
N-[1-(4-aminophenyl)ethyl]pyridine-4-carboxamide
CID 43297585
4-amino-2-fluoro-N-[(1S)-1-pyridin-4-ylethyl]benzamide
CID 107794749
N-[(1S)-1-pyridin-4-ylethyl]pyrazine-2-carboxamide
CID 30479888
4-amino-1-propan-2-yl-N-(1,3-thiazol-2-yl)pyrrole-2-carboxamide
CID 43641885
1,3-diphenyl-N-[(1R)-1-pyridin-4-ylethyl]pyrazole-5-carboxamide
CID 40551886
1-methyl-N-(1-phenylethyl)-4-pyridin-4-ylpyrrole-2-carboxamide
CID 71841032
4-amino-N-(3-iodophenyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 43643244

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-propan-2-yl-N-(1-pyridin-4-ylethyl)pyrrole-2-carboxamide?
The IUPAC name of 4-amino-1-propan-2-yl-N-(1-pyridin-4-ylethyl)pyrrole-2-carboxamide (CID 43643647) is 4-amino-1-propan-2-yl-N-(1-pyridin-4-ylethyl)pyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-1-propan-2-yl-N-(1-pyridin-4-ylethyl)pyrrole-2-carboxamide?
The canonical SMILES for 4-amino-1-propan-2-yl-N-(1-pyridin-4-ylethyl)pyrrole-2-carboxamide is CC(NC(=O)c1cc(N)cn1C(C)C)c1ccncc1.
What is the InChIKey of 4-amino-1-propan-2-yl-N-(1-pyridin-4-ylethyl)pyrrole-2-carboxamide?
The InChIKey is NLJBPWCZRFFWDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-10(2)19-9-13(16)8-14(19)15(20)18-11(3)12-4-6-17-7-5-12/h4-11H,16H2,1-3H3,(H,18,20).
What are the key properties of 4-amino-1-propan-2-yl-N-(1-pyridin-4-ylethyl)pyrrole-2-carboxamide?
4-amino-1-propan-2-yl-N-(1-pyridin-4-ylethyl)pyrrole-2-carboxamide has a molecular weight of 272.35 g/mol, XLogP of 2.54, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-propan-2-yl-N-(1-pyridin-4-ylethyl)pyrrole-2-carboxamide is sourced from PubChem (CID 43643647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).