5-chloro-N-[(2-prop-1-en-2-yloxolan-3-yl)methyl]pyridine-2-carboxamide

C14H17ClN2O2 — CID 136539617

IUPAC5-chloro-N-[(2-prop-1-en-2-yloxolan-3-yl)methyl]pyridine-2-carboxamide
SMILESC=C(C)C1OCCC1CNC(=O)c1ccc(Cl)cn1
InChIInChI=1S/C14H17ClN2O2/c1-9(2)13-10(5-6-19-13)7-17-14(18)12-4-3-11(15)8-16-12/h3-4,8,10,13H,1,5-7H2,2H3,(H,17,18)
InChIKeyCSWCRXYHOUPGTP-UHFFFAOYSA-N
MW280.75 g/mol
LogP2.45
Rot. Bonds4

About 5-chloro-N-[(2-prop-1-en-2-yloxolan-3-yl)methyl]pyridine-2-carboxamide

5-chloro-N-[(2-prop-1-en-2-yloxolan-3-yl)methyl]pyridine-2-carboxamide (PubChem CID 136539617) has the molecular formula C14H17ClN2O2 and a molecular weight of 280.75 g/mol. Its IUPAC name is 5-chloro-N-[(2-prop-1-en-2-yloxolan-3-yl)methyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[(2-prop-1-en-2-yloxolan-3-yl)methyl]pyridine-2-carboxamide
PubChem CID136539617
Molecular FormulaC14H17ClN2O2
Molecular Weight280.75 g/mol
Exact Mass280.10
IUPAC Name5-chloro-N-[(2-prop-1-en-2-yloxolan-3-yl)methyl]pyridine-2-carboxamide
SMILESC=C(C)C1OCCC1CNC(=O)c1ccc(Cl)cn1
InChIInChI=1S/C14H17ClN2O2/c1-9(2)13-10(5-6-19-13)7-17-14(18)12-4-3-11(15)8-16-12/h3-4,8,10,13H,1,5-7H2,2H3,(H,17,18)
InChIKeyCSWCRXYHOUPGTP-UHFFFAOYSA-N
XLogP2.45
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.75
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl N-[1-[(4-chloropyridine-2-carbonyl)amino]-4-methylpentan-2-yl]carbamate
CID 42959637
5-chloro-N-(3-hydroxypropyl)pyridine-2-carboxamide
CID 64398215
4-chloro-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1H-pyrrole-2-carboxamide
CID 71879931
(5-Chloro-2-pyridinyl)-[3-(phenylmethoxymethyl)pyrrolidin-1-yl]methanone
CID 71998899
N-[(Oxan-4-YL)methyl]pyridine-2-carboxamide
CID 68739280
N-(2-(2-chlorophenyl)-2-methoxyethyl)picolinamide
CID 76149789
4-chloro-N-[(R)-(3-hydroxycyclobutyl)-piperidin-4-ylmethyl]-1-methylpyrrole-2-carboxamide
CID 100029126
5-chloro-N-ethyl-N-(tetrahydro-2H-pyran-4-ylmethyl)pyridine-2-carboxamide
CID 56876834
5-chloro-N-[(4-hydroxyoxan-4-yl)methyl]pyridine-2-carboxamide
CID 71989537
(2S)-2-[[(5-chloropyridine-2-carbonyl)amino]methyl]-4-methylpentanoic acid
CID 124517125
methyl (2S)-2-[(4-chloro-1-methylpyrrole-2-carbonyl)amino]-3-pyridin-4-ylpropanoate
CID 125531996
4-chloro-N-methyl-N-[2-[(2R)-oxan-2-yl]ethyl]-1H-pyrrole-2-carboxamide
CID 126427628

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(2-prop-1-en-2-yloxolan-3-yl)methyl]pyridine-2-carboxamide?
The IUPAC name of 5-chloro-N-[(2-prop-1-en-2-yloxolan-3-yl)methyl]pyridine-2-carboxamide (CID 136539617) is 5-chloro-N-[(2-prop-1-en-2-yloxolan-3-yl)methyl]pyridine-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[(2-prop-1-en-2-yloxolan-3-yl)methyl]pyridine-2-carboxamide?
The canonical SMILES for 5-chloro-N-[(2-prop-1-en-2-yloxolan-3-yl)methyl]pyridine-2-carboxamide is C=C(C)C1OCCC1CNC(=O)c1ccc(Cl)cn1.
What is the InChIKey of 5-chloro-N-[(2-prop-1-en-2-yloxolan-3-yl)methyl]pyridine-2-carboxamide?
The InChIKey is CSWCRXYHOUPGTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O2/c1-9(2)13-10(5-6-19-13)7-17-14(18)12-4-3-11(15)8-16-12/h3-4,8,10,13H,1,5-7H2,2H3,(H,17,18).
What are the key properties of 5-chloro-N-[(2-prop-1-en-2-yloxolan-3-yl)methyl]pyridine-2-carboxamide?
5-chloro-N-[(2-prop-1-en-2-yloxolan-3-yl)methyl]pyridine-2-carboxamide has a molecular weight of 280.75 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(2-prop-1-en-2-yloxolan-3-yl)methyl]pyridine-2-carboxamide is sourced from PubChem (CID 136539617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).