4-amino-N-(2-chloro-4-methyl-3-pyridinyl)-1-propylpyrrole-2-carboxamide

C14H17ClN4O — CID 65489271

IUPAC4-amino-N-(2-chloro-4-methyl-3-pyridinyl)-1-propylpyrrole-2-carboxamide
SMILESCCCn1cc(N)cc1C(=O)Nc1c(C)ccnc1Cl
InChIInChI=1S/C14H17ClN4O/c1-3-6-19-8-10(16)7-11(19)14(20)18-12-9(2)4-5-17-13(12)15/h4-5,7-8H,3,6,16H2,1-2H3,(H,18,20)
InChIKeyOHMAJMIFIXPDOJ-UHFFFAOYSA-N
MW292.77 g/mol
LogP3.09
Rot. Bonds4

About 4-amino-N-(2-chloro-4-methyl-3-pyridinyl)-1-propylpyrrole-2-carboxamide

4-amino-N-(2-chloro-4-methyl-3-pyridinyl)-1-propylpyrrole-2-carboxamide (PubChem CID 65489271) has the molecular formula C14H17ClN4O and a molecular weight of 292.77 g/mol. Its IUPAC name is 4-amino-N-(2-chloro-4-methyl-3-pyridinyl)-1-propylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-(2-chloro-4-methyl-3-pyridinyl)-1-propylpyrrole-2-carboxamide
PubChem CID65489271
Molecular FormulaC14H17ClN4O
Molecular Weight292.77 g/mol
Exact Mass292.11
IUPAC Name4-amino-N-(2-chloro-4-methyl-3-pyridinyl)-1-propylpyrrole-2-carboxamide
SMILESCCCn1cc(N)cc1C(=O)Nc1c(C)ccnc1Cl
InChIInChI=1S/C14H17ClN4O/c1-3-6-19-8-10(16)7-11(19)14(20)18-12-9(2)4-5-17-13(12)15/h4-5,7-8H,3,6,16H2,1-2H3,(H,18,20)
InChIKeyOHMAJMIFIXPDOJ-UHFFFAOYSA-N
XLogP3.09
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-chloro-4-methyl-3-pyridinyl)-1-propylpyrrole-2-carboxamide?
The IUPAC name of 4-amino-N-(2-chloro-4-methyl-3-pyridinyl)-1-propylpyrrole-2-carboxamide (CID 65489271) is 4-amino-N-(2-chloro-4-methyl-3-pyridinyl)-1-propylpyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-N-(2-chloro-4-methyl-3-pyridinyl)-1-propylpyrrole-2-carboxamide?
The canonical SMILES for 4-amino-N-(2-chloro-4-methyl-3-pyridinyl)-1-propylpyrrole-2-carboxamide is CCCn1cc(N)cc1C(=O)Nc1c(C)ccnc1Cl.
What is the InChIKey of 4-amino-N-(2-chloro-4-methyl-3-pyridinyl)-1-propylpyrrole-2-carboxamide?
The InChIKey is OHMAJMIFIXPDOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4O/c1-3-6-19-8-10(16)7-11(19)14(20)18-12-9(2)4-5-17-13(12)15/h4-5,7-8H,3,6,16H2,1-2H3,(H,18,20).
What are the key properties of 4-amino-N-(2-chloro-4-methyl-3-pyridinyl)-1-propylpyrrole-2-carboxamide?
4-amino-N-(2-chloro-4-methyl-3-pyridinyl)-1-propylpyrrole-2-carboxamide has a molecular weight of 292.77 g/mol, XLogP of 3.09, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-chloro-4-methyl-3-pyridinyl)-1-propylpyrrole-2-carboxamide is sourced from PubChem (CID 65489271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).