N-[6-(3-hydroxyprop-1-ynyl)-2-pyridinyl]-1,5-dimethylpyrrole-2-carboxamide

C15H15N3O2 — CID 60802463

IUPACN-[6-(3-hydroxyprop-1-ynyl)-2-pyridinyl]-1,5-dimethylpyrrole-2-carboxamide
SMILESCc1ccc(C(=O)Nc2cccc(C#CCO)n2)n1C
InChIInChI=1S/C15H15N3O2/c1-11-8-9-13(18(11)2)15(20)17-14-7-3-5-12(16-14)6-4-10-19/h3,5,7-9,19H,10H2,1-2H3,(H,16,17,20)
InChIKeyLPRQPWOYOYNOIJ-UHFFFAOYSA-N
MW269.30 g/mol
LogP1.32
Rot. Bonds2

About N-[6-(3-hydroxyprop-1-ynyl)-2-pyridinyl]-1,5-dimethylpyrrole-2-carboxamide

N-[6-(3-hydroxyprop-1-ynyl)-2-pyridinyl]-1,5-dimethylpyrrole-2-carboxamide (PubChem CID 60802463) has the molecular formula C15H15N3O2 and a molecular weight of 269.30 g/mol. Its IUPAC name is N-[6-(3-hydroxyprop-1-ynyl)-2-pyridinyl]-1,5-dimethylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[6-(3-hydroxyprop-1-ynyl)-2-pyridinyl]-1,5-dimethylpyrrole-2-carboxamide
PubChem CID60802463
Molecular FormulaC15H15N3O2
Molecular Weight269.30 g/mol
Exact Mass269.12
IUPAC NameN-[6-(3-hydroxyprop-1-ynyl)-2-pyridinyl]-1,5-dimethylpyrrole-2-carboxamide
SMILESCc1ccc(C(=O)Nc2cccc(C#CCO)n2)n1C
InChIInChI=1S/C15H15N3O2/c1-11-8-9-13(18(11)2)15(20)17-14-7-3-5-12(16-14)6-4-10-19/h3,5,7-9,19H,10H2,1-2H3,(H,16,17,20)
InChIKeyLPRQPWOYOYNOIJ-UHFFFAOYSA-N
XLogP1.32
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-[6-(3-hydroxyprop-1-ynyl)-2-pyridinyl]-1-methylpyrrole-2-carboxamide
CID 60803494
N-[4-(3-hydroxyprop-1-ynyl)-2-pyridinyl]-1,5-dimethylpyrrole-2-carboxamide
CID 102820804
N-[6-(3-hydroxyprop-1-ynyl)-2-pyridinyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 60804378
N-[6-(3-hydroxyprop-1-ynyl)-2-pyridinyl]-4-methylsulfanylbenzamide
CID 79214082
N-[6-(3-hydroxyprop-1-ynyl)-2-pyridinyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 60805086
1-ethyl-3-[6-(3-hydroxyprop-1-ynyl)-2-pyridinyl]urea
CID 60814714
N-[6-(3-hydroxyprop-1-ynyl)-2-pyridinyl]-2,2-dimethylbutanamide
CID 62677687
3-fluoro-N-[6-(3-hydroxyprop-1-ynyl)-2-pyridinyl]pyridine-4-carboxamide
CID 64951684
5-fluoro-N-[6-(3-hydroxyprop-1-ynyl)-2-pyridinyl]pyridine-3-carboxamide
CID 104786279
N-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]-2-methylpyrazole-3-carboxamide
CID 60813067
5-ethyl-N-[6-(3-hydroxyprop-1-ynyl)-2-pyridinyl]furan-2-carboxamide
CID 79096364
N-[6-(3-hydroxyprop-1-ynyl)-2-pyridinyl]azepane-1-carboxamide
CID 79152659

Frequently Asked Questions

What is the IUPAC name of N-[6-(3-hydroxyprop-1-ynyl)-2-pyridinyl]-1,5-dimethylpyrrole-2-carboxamide?
The IUPAC name of N-[6-(3-hydroxyprop-1-ynyl)-2-pyridinyl]-1,5-dimethylpyrrole-2-carboxamide (CID 60802463) is N-[6-(3-hydroxyprop-1-ynyl)-2-pyridinyl]-1,5-dimethylpyrrole-2-carboxamide.
What is the SMILES notation for N-[6-(3-hydroxyprop-1-ynyl)-2-pyridinyl]-1,5-dimethylpyrrole-2-carboxamide?
The canonical SMILES for N-[6-(3-hydroxyprop-1-ynyl)-2-pyridinyl]-1,5-dimethylpyrrole-2-carboxamide is Cc1ccc(C(=O)Nc2cccc(C#CCO)n2)n1C.
What is the InChIKey of N-[6-(3-hydroxyprop-1-ynyl)-2-pyridinyl]-1,5-dimethylpyrrole-2-carboxamide?
The InChIKey is LPRQPWOYOYNOIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2/c1-11-8-9-13(18(11)2)15(20)17-14-7-3-5-12(16-14)6-4-10-19/h3,5,7-9,19H,10H2,1-2H3,(H,16,17,20).
What are the key properties of N-[6-(3-hydroxyprop-1-ynyl)-2-pyridinyl]-1,5-dimethylpyrrole-2-carboxamide?
N-[6-(3-hydroxyprop-1-ynyl)-2-pyridinyl]-1,5-dimethylpyrrole-2-carboxamide has a molecular weight of 269.30 g/mol, XLogP of 1.32, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3-hydroxyprop-1-ynyl)-2-pyridinyl]-1,5-dimethylpyrrole-2-carboxamide is sourced from PubChem (CID 60802463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).