N-(cyclopropylmethyl)-3-(4-hydroxybut-1-ynyl)pyridine-2-carboxamide

C14H16N2O2 — CID 107520618

IUPACN-(cyclopropylmethyl)-3-(4-hydroxybut-1-ynyl)pyridine-2-carboxamide
SMILESO=C(NCC1CC1)c1ncccc1C#CCCO
InChIInChI=1S/C14H16N2O2/c17-9-2-1-4-12-5-3-8-15-13(12)14(18)16-10-11-6-7-11/h3,5,8,11,17H,2,6-7,9-10H2,(H,16,18)
InChIKeyIBPRQGUKXBOXHJ-UHFFFAOYSA-N
MW244.29 g/mol
LogP0.96
Rot. Bonds4

About N-(cyclopropylmethyl)-3-(4-hydroxybut-1-ynyl)pyridine-2-carboxamide

N-(cyclopropylmethyl)-3-(4-hydroxybut-1-ynyl)pyridine-2-carboxamide (PubChem CID 107520618) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-3-(4-hydroxybut-1-ynyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-3-(4-hydroxybut-1-ynyl)pyridine-2-carboxamide
PubChem CID107520618
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC NameN-(cyclopropylmethyl)-3-(4-hydroxybut-1-ynyl)pyridine-2-carboxamide
SMILESO=C(NCC1CC1)c1ncccc1C#CCCO
InChIInChI=1S/C14H16N2O2/c17-9-2-1-4-12-5-3-8-15-13(12)14(18)16-10-11-6-7-11/h3,5,8,11,17H,2,6-7,9-10H2,(H,16,18)
InChIKeyIBPRQGUKXBOXHJ-UHFFFAOYSA-N
XLogP0.96
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(4-hydroxybut-1-ynyl)-N-(thian-4-ylmethyl)pyridine-2-carboxamide
CID 107523183
3-(3-hydroxyprop-1-ynyl)-N-[(4-methylcyclohexyl)methyl]pyridine-2-carboxamide
CID 107522403
N-(2-butoxyethyl)-3-(4-hydroxybut-1-ynyl)pyridine-2-carboxamide
CID 107522126
3-(4-hydroxybut-1-ynyl)-N-(2-methylsulfonylethyl)pyridine-2-carboxamide
CID 107521470
3-(4-hydroxybut-1-ynyl)-N-[2-(1,3-thiazol-2-yl)ethyl]pyridine-2-carboxamide
CID 107522402
N-[3-(ethylamino)-3-oxopropyl]-3-(4-hydroxybut-1-ynyl)pyridine-2-carboxamide
CID 107523109
3-(4-hydroxybut-1-ynyl)-N-(3-methyl-2-pyridinyl)pyridine-2-carboxamide
CID 107521173
N-(furan-3-ylmethyl)-3-(4-hydroxybut-1-ynyl)pyridine-2-carboxamide
CID 107523249
3-amino-N-(cyclopropylmethyl)pyridine-2-carboxamide
CID 104740792
3-(4-hydroxybut-1-ynyl)-N-(1-methoxybutan-2-yl)pyridine-2-carboxamide
CID 107522619
3-(4-hydroxybut-1-ynyl)-N-(2-hydroxyethyl)-N-(2-methoxyethyl)pyridine-2-carboxamide
CID 107523143
3-(4-hydroxybut-1-ynyl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyridine-2-carboxamide
CID 107522205

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-3-(4-hydroxybut-1-ynyl)pyridine-2-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-3-(4-hydroxybut-1-ynyl)pyridine-2-carboxamide (CID 107520618) is N-(cyclopropylmethyl)-3-(4-hydroxybut-1-ynyl)pyridine-2-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-3-(4-hydroxybut-1-ynyl)pyridine-2-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-3-(4-hydroxybut-1-ynyl)pyridine-2-carboxamide is O=C(NCC1CC1)c1ncccc1C#CCCO.
What is the InChIKey of N-(cyclopropylmethyl)-3-(4-hydroxybut-1-ynyl)pyridine-2-carboxamide?
The InChIKey is IBPRQGUKXBOXHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c17-9-2-1-4-12-5-3-8-15-13(12)14(18)16-10-11-6-7-11/h3,5,8,11,17H,2,6-7,9-10H2,(H,16,18).
What are the key properties of N-(cyclopropylmethyl)-3-(4-hydroxybut-1-ynyl)pyridine-2-carboxamide?
N-(cyclopropylmethyl)-3-(4-hydroxybut-1-ynyl)pyridine-2-carboxamide has a molecular weight of 244.29 g/mol, XLogP of 0.96, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-3-(4-hydroxybut-1-ynyl)pyridine-2-carboxamide is sourced from PubChem (CID 107520618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).