5-chloro-2-(methylamino)-N-(oxolan-3-ylmethyl)pyridine-4-carboxamide

C12H16ClN3O2 — CID 114923351

IUPAC5-chloro-2-(methylamino)-N-(oxolan-3-ylmethyl)pyridine-4-carboxamide
SMILESCNc1cc(C(=O)NCC2CCOC2)c(Cl)cn1
InChIInChI=1S/C12H16ClN3O2/c1-14-11-4-9(10(13)6-15-11)12(17)16-5-8-2-3-18-7-8/h4,6,8H,2-3,5,7H2,1H3,(H,14,15)(H,16,17)
InChIKeyYNRHYFANXXOTHP-UHFFFAOYSA-N
MW269.73 g/mol
LogP1.54
Rot. Bonds4

About 5-chloro-2-(methylamino)-N-(oxolan-3-ylmethyl)pyridine-4-carboxamide

5-chloro-2-(methylamino)-N-(oxolan-3-ylmethyl)pyridine-4-carboxamide (PubChem CID 114923351) has the molecular formula C12H16ClN3O2 and a molecular weight of 269.73 g/mol. Its IUPAC name is 5-chloro-2-(methylamino)-N-(oxolan-3-ylmethyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name5-chloro-2-(methylamino)-N-(oxolan-3-ylmethyl)pyridine-4-carboxamide
PubChem CID114923351
Molecular FormulaC12H16ClN3O2
Molecular Weight269.73 g/mol
Exact Mass269.09
IUPAC Name5-chloro-2-(methylamino)-N-(oxolan-3-ylmethyl)pyridine-4-carboxamide
SMILESCNc1cc(C(=O)NCC2CCOC2)c(Cl)cn1
InChIInChI=1S/C12H16ClN3O2/c1-14-11-4-9(10(13)6-15-11)12(17)16-5-8-2-3-18-7-8/h4,6,8H,2-3,5,7H2,1H3,(H,14,15)(H,16,17)
InChIKeyYNRHYFANXXOTHP-UHFFFAOYSA-N
XLogP1.54
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.73
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-2-(methylamino)-N-(oxan-4-ylmethyl)pyridine-4-carboxamide
CID 114923616
5-chloro-N-methyl-2-(methylamino)-N-(oxan-4-ylmethyl)pyridine-4-carboxamide
CID 114923612
2-amino-5-chloro-N-(oxan-3-ylmethyl)pyridine-4-carboxamide
CID 114922848
5-chloro-2-(methylamino)-N-[1-(oxolan-3-yl)ethyl]pyridine-4-carboxamide
CID 114924748
5-chloro-N-(2-cyclobutylethyl)-2-(methylamino)pyridine-4-carboxamide
CID 114924528
5-bromo-2-chloro-N-(oxolan-3-ylmethyl)benzamide
CID 47179450
5-chloro-N-(2-cyclopropylpropyl)-2-(methylamino)pyridine-4-carboxamide
CID 114924516
5-chloro-N-[(4-ethylmorpholin-2-yl)methyl]-2-(methylamino)pyridine-4-carboxamide
CID 114924792
2-(methylamino)-N-(oxolan-3-ylmethyl)pyridine-3-carboxamide
CID 62824934
4-amino-2-chloro-N-(oxolan-3-ylmethyl)benzamide
CID 61112400
5-chloro-N-cyclobutyl-2-(methylamino)pyridine-4-carboxamide
CID 114923292
N-(2-acetamidoethyl)-5-chloro-2-(methylamino)pyridine-4-carboxamide
CID 114922273

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(methylamino)-N-(oxolan-3-ylmethyl)pyridine-4-carboxamide?
The IUPAC name of 5-chloro-2-(methylamino)-N-(oxolan-3-ylmethyl)pyridine-4-carboxamide (CID 114923351) is 5-chloro-2-(methylamino)-N-(oxolan-3-ylmethyl)pyridine-4-carboxamide.
What is the SMILES notation for 5-chloro-2-(methylamino)-N-(oxolan-3-ylmethyl)pyridine-4-carboxamide?
The canonical SMILES for 5-chloro-2-(methylamino)-N-(oxolan-3-ylmethyl)pyridine-4-carboxamide is CNc1cc(C(=O)NCC2CCOC2)c(Cl)cn1.
What is the InChIKey of 5-chloro-2-(methylamino)-N-(oxolan-3-ylmethyl)pyridine-4-carboxamide?
The InChIKey is YNRHYFANXXOTHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3O2/c1-14-11-4-9(10(13)6-15-11)12(17)16-5-8-2-3-18-7-8/h4,6,8H,2-3,5,7H2,1H3,(H,14,15)(H,16,17).
What are the key properties of 5-chloro-2-(methylamino)-N-(oxolan-3-ylmethyl)pyridine-4-carboxamide?
5-chloro-2-(methylamino)-N-(oxolan-3-ylmethyl)pyridine-4-carboxamide has a molecular weight of 269.73 g/mol, XLogP of 1.54, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(methylamino)-N-(oxolan-3-ylmethyl)pyridine-4-carboxamide is sourced from PubChem (CID 114923351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).