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

C14H18N4O — CID 79234677

IUPAC4-amino-N-(2-methyl-4-pyridinyl)-1-propylpyrrole-2-carboxamide
SMILESCCCn1cc(N)cc1C(=O)Nc1ccnc(C)c1
InChIInChI=1S/C14H18N4O/c1-3-6-18-9-11(15)8-13(18)14(19)17-12-4-5-16-10(2)7-12/h4-5,7-9H,3,6,15H2,1-2H3,(H,16,17,19)
InChIKeyKEQZSKUADYSQNO-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.44
Rot. Bonds4

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

4-amino-N-(2-methyl-4-pyridinyl)-1-propylpyrrole-2-carboxamide (PubChem CID 79234677) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 4-amino-N-(2-methyl-4-pyridinyl)-1-propylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-(2-methyl-4-pyridinyl)-1-propylpyrrole-2-carboxamide
PubChem CID79234677
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name4-amino-N-(2-methyl-4-pyridinyl)-1-propylpyrrole-2-carboxamide
SMILESCCCn1cc(N)cc1C(=O)Nc1ccnc(C)c1
InChIInChI=1S/C14H18N4O/c1-3-6-18-9-11(15)8-13(18)14(19)17-12-4-5-16-10(2)7-12/h4-5,7-9H,3,6,15H2,1-2H3,(H,16,17,19)
InChIKeyKEQZSKUADYSQNO-UHFFFAOYSA-N
XLogP2.44
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-methyl-4-pyridinyl)-1-propylpyrrole-2-carboxamide?
The IUPAC name of 4-amino-N-(2-methyl-4-pyridinyl)-1-propylpyrrole-2-carboxamide (CID 79234677) is 4-amino-N-(2-methyl-4-pyridinyl)-1-propylpyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-N-(2-methyl-4-pyridinyl)-1-propylpyrrole-2-carboxamide?
The canonical SMILES for 4-amino-N-(2-methyl-4-pyridinyl)-1-propylpyrrole-2-carboxamide is CCCn1cc(N)cc1C(=O)Nc1ccnc(C)c1.
What is the InChIKey of 4-amino-N-(2-methyl-4-pyridinyl)-1-propylpyrrole-2-carboxamide?
The InChIKey is KEQZSKUADYSQNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-3-6-18-9-11(15)8-13(18)14(19)17-12-4-5-16-10(2)7-12/h4-5,7-9H,3,6,15H2,1-2H3,(H,16,17,19).
What are the key properties of 4-amino-N-(2-methyl-4-pyridinyl)-1-propylpyrrole-2-carboxamide?
4-amino-N-(2-methyl-4-pyridinyl)-1-propylpyrrole-2-carboxamide has a molecular weight of 258.32 g/mol, XLogP of 2.44, 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-methyl-4-pyridinyl)-1-propylpyrrole-2-carboxamide is sourced from PubChem (CID 79234677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).