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

C14H18N4O — CID 79042631

IUPAC4-amino-N-(2-methyl-3-pyridinyl)-1-propan-2-ylpyrrole-2-carboxamide
SMILESCc1ncccc1NC(=O)c1cc(N)cn1C(C)C
InChIInChI=1S/C14H18N4O/c1-9(2)18-8-11(15)7-13(18)14(19)17-12-5-4-6-16-10(12)3/h4-9H,15H2,1-3H3,(H,17,19)
InChIKeyWLWIURLRVASOJA-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.61
Rot. Bonds3

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

4-amino-N-(2-methyl-3-pyridinyl)-1-propan-2-ylpyrrole-2-carboxamide (PubChem CID 79042631) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 4-amino-N-(2-methyl-3-pyridinyl)-1-propan-2-ylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-(2-methyl-3-pyridinyl)-1-propan-2-ylpyrrole-2-carboxamide
PubChem CID79042631
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name4-amino-N-(2-methyl-3-pyridinyl)-1-propan-2-ylpyrrole-2-carboxamide
SMILESCc1ncccc1NC(=O)c1cc(N)cn1C(C)C
InChIInChI=1S/C14H18N4O/c1-9(2)18-8-11(15)7-13(18)14(19)17-12-5-4-6-16-10(12)3/h4-9H,15H2,1-3H3,(H,17,19)
InChIKeyWLWIURLRVASOJA-UHFFFAOYSA-N
XLogP2.61
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.61
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-3-pyridinyl)-1-propan-2-ylpyrrole-2-carboxamide?
The IUPAC name of 4-amino-N-(2-methyl-3-pyridinyl)-1-propan-2-ylpyrrole-2-carboxamide (CID 79042631) is 4-amino-N-(2-methyl-3-pyridinyl)-1-propan-2-ylpyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-N-(2-methyl-3-pyridinyl)-1-propan-2-ylpyrrole-2-carboxamide?
The canonical SMILES for 4-amino-N-(2-methyl-3-pyridinyl)-1-propan-2-ylpyrrole-2-carboxamide is Cc1ncccc1NC(=O)c1cc(N)cn1C(C)C.
What is the InChIKey of 4-amino-N-(2-methyl-3-pyridinyl)-1-propan-2-ylpyrrole-2-carboxamide?
The InChIKey is WLWIURLRVASOJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-9(2)18-8-11(15)7-13(18)14(19)17-12-5-4-6-16-10(12)3/h4-9H,15H2,1-3H3,(H,17,19).
What are the key properties of 4-amino-N-(2-methyl-3-pyridinyl)-1-propan-2-ylpyrrole-2-carboxamide?
4-amino-N-(2-methyl-3-pyridinyl)-1-propan-2-ylpyrrole-2-carboxamide has a molecular weight of 258.32 g/mol, XLogP of 2.61, 3 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-3-pyridinyl)-1-propan-2-ylpyrrole-2-carboxamide is sourced from PubChem (CID 79042631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).