3-(3-aminoprop-1-ynyl)-N,N-bis(cyclopropylmethyl)pyridine-2-carboxamide

C17H21N3O — CID 107524467

IUPAC3-(3-aminoprop-1-ynyl)-N,N-bis(cyclopropylmethyl)pyridine-2-carboxamide
SMILESNCC#Cc1cccnc1C(=O)N(CC1CC1)CC1CC1
InChIInChI=1S/C17H21N3O/c18-9-1-3-15-4-2-10-19-16(15)17(21)20(11-13-5-6-13)12-14-7-8-14/h2,4,10,13-14H,5-9,11-12,18H2
InChIKeyIASGSHGCDQWJND-UHFFFAOYSA-N
MW283.38 g/mol
LogP1.65
Rot. Bonds5

About 3-(3-aminoprop-1-ynyl)-N,N-bis(cyclopropylmethyl)pyridine-2-carboxamide

3-(3-aminoprop-1-ynyl)-N,N-bis(cyclopropylmethyl)pyridine-2-carboxamide (PubChem CID 107524467) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is 3-(3-aminoprop-1-ynyl)-N,N-bis(cyclopropylmethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3-(3-aminoprop-1-ynyl)-N,N-bis(cyclopropylmethyl)pyridine-2-carboxamide
PubChem CID107524467
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name3-(3-aminoprop-1-ynyl)-N,N-bis(cyclopropylmethyl)pyridine-2-carboxamide
SMILESNCC#Cc1cccnc1C(=O)N(CC1CC1)CC1CC1
InChIInChI=1S/C17H21N3O/c18-9-1-3-15-4-2-10-19-16(15)17(21)20(11-13-5-6-13)12-14-7-8-14/h2,4,10,13-14H,5-9,11-12,18H2
InChIKeyIASGSHGCDQWJND-UHFFFAOYSA-N
XLogP1.65
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(3-aminoprop-1-ynyl)-N-(cyclobutylmethyl)-N-ethylpyridine-2-carboxamide
CID 107524951
3-(3-aminoprop-1-ynyl)-N-cyclobutyl-N-methylpyridine-2-carboxamide
CID 107524822
3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-[3-(3-aminoprop-1-ynyl)-2-pyridinyl]methanone
CID 107524658
3-(3-aminoprop-1-ynyl)-N-methyl-N-(2-methylcyclohexyl)pyridine-2-carboxamide
CID 107524117
3-(3-aminoprop-1-ynyl)-N-(4-ethylcyclohexyl)pyridine-2-carboxamide
CID 107523986
[3-(3-aminoprop-1-ynyl)-2-pyridinyl]-(2,6-dimethylpiperidin-1-yl)methanone
CID 107523595
3-(3-aminoprop-1-ynyl)-N-(1-cyclopropylpropan-2-yl)pyridine-2-carboxamide
CID 107524450
[3-(3-aminoprop-1-ynyl)-2-pyridinyl]-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
CID 107524428
3-(3-aminoprop-1-ynyl)-N-methyl-N-(2-methylbutan-2-yl)pyridine-2-carboxamide
CID 107524444
3-(3-aminoprop-1-ynyl)-N-(oxan-2-ylmethyl)pyridine-2-carboxamide
CID 107524152
3-(3-aminoprop-1-ynyl)-N-(1-cyclopropylbutan-2-yl)pyridine-2-carboxamide
CID 107524452
[3-(3-aminoprop-1-ynyl)-2-pyridinyl]-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 107523740

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminoprop-1-ynyl)-N,N-bis(cyclopropylmethyl)pyridine-2-carboxamide?
The IUPAC name of 3-(3-aminoprop-1-ynyl)-N,N-bis(cyclopropylmethyl)pyridine-2-carboxamide (CID 107524467) is 3-(3-aminoprop-1-ynyl)-N,N-bis(cyclopropylmethyl)pyridine-2-carboxamide.
What is the SMILES notation for 3-(3-aminoprop-1-ynyl)-N,N-bis(cyclopropylmethyl)pyridine-2-carboxamide?
The canonical SMILES for 3-(3-aminoprop-1-ynyl)-N,N-bis(cyclopropylmethyl)pyridine-2-carboxamide is NCC#Cc1cccnc1C(=O)N(CC1CC1)CC1CC1.
What is the InChIKey of 3-(3-aminoprop-1-ynyl)-N,N-bis(cyclopropylmethyl)pyridine-2-carboxamide?
The InChIKey is IASGSHGCDQWJND-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c18-9-1-3-15-4-2-10-19-16(15)17(21)20(11-13-5-6-13)12-14-7-8-14/h2,4,10,13-14H,5-9,11-12,18H2.
What are the key properties of 3-(3-aminoprop-1-ynyl)-N,N-bis(cyclopropylmethyl)pyridine-2-carboxamide?
3-(3-aminoprop-1-ynyl)-N,N-bis(cyclopropylmethyl)pyridine-2-carboxamide has a molecular weight of 283.38 g/mol, XLogP of 1.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminoprop-1-ynyl)-N,N-bis(cyclopropylmethyl)pyridine-2-carboxamide is sourced from PubChem (CID 107524467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).