5-(3-aminoprop-1-ynyl)-N-[(4-methyl-3-pyridinyl)methyl]thiophene-2-carboxamide

C15H15N3OS — CID 114957354

IUPAC5-(3-aminoprop-1-ynyl)-N-[(4-methyl-3-pyridinyl)methyl]thiophene-2-carboxamide
SMILESCc1ccncc1CNC(=O)c1ccc(C#CCN)s1
InChIInChI=1S/C15H15N3OS/c1-11-6-8-17-9-12(11)10-18-15(19)14-5-4-13(20-14)3-2-7-16/h4-6,8-9H,7,10,16H2,1H3,(H,18,19)
InChIKeyDWDQWQDDYDSMQO-UHFFFAOYSA-N
MW285.37 g/mol
LogP1.69
Rot. Bonds3

About 5-(3-aminoprop-1-ynyl)-N-[(4-methyl-3-pyridinyl)methyl]thiophene-2-carboxamide

5-(3-aminoprop-1-ynyl)-N-[(4-methyl-3-pyridinyl)methyl]thiophene-2-carboxamide (PubChem CID 114957354) has the molecular formula C15H15N3OS and a molecular weight of 285.37 g/mol. Its IUPAC name is 5-(3-aminoprop-1-ynyl)-N-[(4-methyl-3-pyridinyl)methyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-(3-aminoprop-1-ynyl)-N-[(4-methyl-3-pyridinyl)methyl]thiophene-2-carboxamide
PubChem CID114957354
Molecular FormulaC15H15N3OS
Molecular Weight285.37 g/mol
Exact Mass285.09
IUPAC Name5-(3-aminoprop-1-ynyl)-N-[(4-methyl-3-pyridinyl)methyl]thiophene-2-carboxamide
SMILESCc1ccncc1CNC(=O)c1ccc(C#CCN)s1
InChIInChI=1S/C15H15N3OS/c1-11-6-8-17-9-12(11)10-18-15(19)14-5-4-13(20-14)3-2-7-16/h4-6,8-9H,7,10,16H2,1H3,(H,18,19)
InChIKeyDWDQWQDDYDSMQO-UHFFFAOYSA-N
XLogP1.69
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 51.69
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

5-(3-aminoprop-1-ynyl)-N-(2-pyridin-4-ylethyl)thiophene-2-carboxamide
CID 61075669
(E)-3-[5-[(4-methyl-3-pyridinyl)methylcarbamoyl]thiophen-2-yl]prop-2-enoic acid
CID 114957413
5-(3-aminoprop-1-ynyl)-N-(3-methyl-2-propan-2-ylbutyl)thiophene-2-carboxamide
CID 102907704
5-(3-aminoprop-1-ynyl)-N-pentylthiophene-2-carboxamide
CID 61074576
5-(3-aminoprop-1-ynyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]thiophene-2-carboxamide
CID 61075844
5-(3-aminoprop-1-ynyl)-N',N'-dimethylthiophene-2-carbohydrazide
CID 83023048
5-(3-aminoprop-1-ynyl)-N-(3-methylsulfanylpropyl)thiophene-2-carboxamide
CID 63961405
2-(3-aminoprop-1-ynyl)-N-[(3-methyl-4-pyridinyl)methyl]benzamide
CID 114701688
5-bromo-N-[(3-methyl-4-pyridinyl)methyl]thiophene-2-carboxamide
CID 114700584
5-(3-aminoprop-1-ynyl)-N-butan-2-ylthiophene-2-carboxamide
CID 61075649
5-(3-aminoprop-1-ynyl)-N-(2-phenylethyl)thiophene-2-carboxamide
CID 61075127
5-(3-hydroxyprop-1-ynyl)-N-[(5-methylpyrazin-2-yl)methyl]thiophene-2-carboxamide
CID 62842091

Frequently Asked Questions

What is the IUPAC name of 5-(3-aminoprop-1-ynyl)-N-[(4-methyl-3-pyridinyl)methyl]thiophene-2-carboxamide?
The IUPAC name of 5-(3-aminoprop-1-ynyl)-N-[(4-methyl-3-pyridinyl)methyl]thiophene-2-carboxamide (CID 114957354) is 5-(3-aminoprop-1-ynyl)-N-[(4-methyl-3-pyridinyl)methyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-(3-aminoprop-1-ynyl)-N-[(4-methyl-3-pyridinyl)methyl]thiophene-2-carboxamide?
The canonical SMILES for 5-(3-aminoprop-1-ynyl)-N-[(4-methyl-3-pyridinyl)methyl]thiophene-2-carboxamide is Cc1ccncc1CNC(=O)c1ccc(C#CCN)s1.
What is the InChIKey of 5-(3-aminoprop-1-ynyl)-N-[(4-methyl-3-pyridinyl)methyl]thiophene-2-carboxamide?
The InChIKey is DWDQWQDDYDSMQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3OS/c1-11-6-8-17-9-12(11)10-18-15(19)14-5-4-13(20-14)3-2-7-16/h4-6,8-9H,7,10,16H2,1H3,(H,18,19).
What are the key properties of 5-(3-aminoprop-1-ynyl)-N-[(4-methyl-3-pyridinyl)methyl]thiophene-2-carboxamide?
5-(3-aminoprop-1-ynyl)-N-[(4-methyl-3-pyridinyl)methyl]thiophene-2-carboxamide has a molecular weight of 285.37 g/mol, XLogP of 1.69, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-aminoprop-1-ynyl)-N-[(4-methyl-3-pyridinyl)methyl]thiophene-2-carboxamide is sourced from PubChem (CID 114957354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).