4-amino-N-methyl-1-propyl-N-pyridin-2-ylpyrrole-2-carboxamide

C14H18N4O — CID 43643059

IUPAC4-amino-N-methyl-1-propyl-N-pyridin-2-ylpyrrole-2-carboxamide
SMILESCCCn1cc(N)cc1C(=O)N(C)c1ccccn1
InChIInChI=1S/C14H18N4O/c1-3-8-18-10-11(15)9-12(18)14(19)17(2)13-6-4-5-7-16-13/h4-7,9-10H,3,8,15H2,1-2H3
InChIKeyISUYDTJILZHKBD-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.15
Rot. Bonds4

About 4-amino-N-methyl-1-propyl-N-pyridin-2-ylpyrrole-2-carboxamide

4-amino-N-methyl-1-propyl-N-pyridin-2-ylpyrrole-2-carboxamide (PubChem CID 43643059) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 4-amino-N-methyl-1-propyl-N-pyridin-2-ylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-methyl-1-propyl-N-pyridin-2-ylpyrrole-2-carboxamide
PubChem CID43643059
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name4-amino-N-methyl-1-propyl-N-pyridin-2-ylpyrrole-2-carboxamide
SMILESCCCn1cc(N)cc1C(=O)N(C)c1ccccn1
InChIInChI=1S/C14H18N4O/c1-3-8-18-10-11(15)9-12(18)14(19)17(2)13-6-4-5-7-16-13/h4-7,9-10H,3,8,15H2,1-2H3
InChIKeyISUYDTJILZHKBD-UHFFFAOYSA-N
XLogP2.15
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-methyl-1-propyl-N-pyridin-2-ylpyrrole-2-carboxamide?
The IUPAC name of 4-amino-N-methyl-1-propyl-N-pyridin-2-ylpyrrole-2-carboxamide (CID 43643059) is 4-amino-N-methyl-1-propyl-N-pyridin-2-ylpyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-N-methyl-1-propyl-N-pyridin-2-ylpyrrole-2-carboxamide?
The canonical SMILES for 4-amino-N-methyl-1-propyl-N-pyridin-2-ylpyrrole-2-carboxamide is CCCn1cc(N)cc1C(=O)N(C)c1ccccn1.
What is the InChIKey of 4-amino-N-methyl-1-propyl-N-pyridin-2-ylpyrrole-2-carboxamide?
The InChIKey is ISUYDTJILZHKBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-3-8-18-10-11(15)9-12(18)14(19)17(2)13-6-4-5-7-16-13/h4-7,9-10H,3,8,15H2,1-2H3.
What are the key properties of 4-amino-N-methyl-1-propyl-N-pyridin-2-ylpyrrole-2-carboxamide?
4-amino-N-methyl-1-propyl-N-pyridin-2-ylpyrrole-2-carboxamide has a molecular weight of 258.32 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-methyl-1-propyl-N-pyridin-2-ylpyrrole-2-carboxamide is sourced from PubChem (CID 43643059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).