2-chloro-N-[(4-hydroxyoxan-4-yl)methyl]-N-methyl-6-(methylamino)pyridine-4-carboxamide

C14H20ClN3O3 — CID 114953146

IUPAC2-chloro-N-[(4-hydroxyoxan-4-yl)methyl]-N-methyl-6-(methylamino)pyridine-4-carboxamide
SMILESCNc1cc(C(=O)N(C)CC2(O)CCOCC2)cc(Cl)n1
InChIInChI=1S/C14H20ClN3O3/c1-16-12-8-10(7-11(15)17-12)13(19)18(2)9-14(20)3-5-21-6-4-14/h7-8,20H,3-6,9H2,1-2H3,(H,16,17)
InChIKeyBQPZSDBFNRAAAR-UHFFFAOYSA-N
MW313.79 g/mol
LogP1.39
Rot. Bonds4

About 2-chloro-N-[(4-hydroxyoxan-4-yl)methyl]-N-methyl-6-(methylamino)pyridine-4-carboxamide

2-chloro-N-[(4-hydroxyoxan-4-yl)methyl]-N-methyl-6-(methylamino)pyridine-4-carboxamide (PubChem CID 114953146) has the molecular formula C14H20ClN3O3 and a molecular weight of 313.79 g/mol. Its IUPAC name is 2-chloro-N-[(4-hydroxyoxan-4-yl)methyl]-N-methyl-6-(methylamino)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[(4-hydroxyoxan-4-yl)methyl]-N-methyl-6-(methylamino)pyridine-4-carboxamide
PubChem CID114953146
Molecular FormulaC14H20ClN3O3
Molecular Weight313.79 g/mol
Exact Mass313.12
IUPAC Name2-chloro-N-[(4-hydroxyoxan-4-yl)methyl]-N-methyl-6-(methylamino)pyridine-4-carboxamide
SMILESCNc1cc(C(=O)N(C)CC2(O)CCOCC2)cc(Cl)n1
InChIInChI=1S/C14H20ClN3O3/c1-16-12-8-10(7-11(15)17-12)13(19)18(2)9-14(20)3-5-21-6-4-14/h7-8,20H,3-6,9H2,1-2H3,(H,16,17)
InChIKeyBQPZSDBFNRAAAR-UHFFFAOYSA-N
XLogP1.39
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.79
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

3,5-dihydroxy-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylbenzamide
CID 105339952
3-bromo-5-chloro-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylbenzamide
CID 105336754
2-amino-6-chloro-N-[(1-hydroxycyclopentyl)methyl]-N-methylpyridine-4-carboxamide
CID 115760057
3-chloro-N-[(4-hydroxyoxan-4-yl)methyl]-4-iodo-N-methylbenzamide
CID 105341207
3-chloro-4-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylbenzamide
CID 114951301
4-amino-N-[(4-hydroxyoxan-4-yl)methyl]-N,3-dimethylbenzamide
CID 114946885
2-chloro-N-methyl-6-(methylamino)-N-(pyridin-4-ylmethyl)pyridine-4-carboxamide
CID 62169933
2-chloro-N-[(3-hydroxyphenyl)methyl]-N-methyl-6-(methylamino)pyridine-4-carboxamide
CID 56805111
2-chloro-5-hydroxy-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylbenzamide
CID 106502232
2-chloro-N-cyclopropyl-N-(2-hydroxyethyl)-6-(methylamino)pyridine-4-carboxamide
CID 62177130
2,4-dichloro-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylbenzamide
CID 114951274
3-amino-N-[(4-hydroxyoxan-4-yl)methyl]-N,4-dimethylbenzamide
CID 114946931

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(4-hydroxyoxan-4-yl)methyl]-N-methyl-6-(methylamino)pyridine-4-carboxamide?
The IUPAC name of 2-chloro-N-[(4-hydroxyoxan-4-yl)methyl]-N-methyl-6-(methylamino)pyridine-4-carboxamide (CID 114953146) is 2-chloro-N-[(4-hydroxyoxan-4-yl)methyl]-N-methyl-6-(methylamino)pyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-N-[(4-hydroxyoxan-4-yl)methyl]-N-methyl-6-(methylamino)pyridine-4-carboxamide?
The canonical SMILES for 2-chloro-N-[(4-hydroxyoxan-4-yl)methyl]-N-methyl-6-(methylamino)pyridine-4-carboxamide is CNc1cc(C(=O)N(C)CC2(O)CCOCC2)cc(Cl)n1.
What is the InChIKey of 2-chloro-N-[(4-hydroxyoxan-4-yl)methyl]-N-methyl-6-(methylamino)pyridine-4-carboxamide?
The InChIKey is BQPZSDBFNRAAAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O3/c1-16-12-8-10(7-11(15)17-12)13(19)18(2)9-14(20)3-5-21-6-4-14/h7-8,20H,3-6,9H2,1-2H3,(H,16,17).
What are the key properties of 2-chloro-N-[(4-hydroxyoxan-4-yl)methyl]-N-methyl-6-(methylamino)pyridine-4-carboxamide?
2-chloro-N-[(4-hydroxyoxan-4-yl)methyl]-N-methyl-6-(methylamino)pyridine-4-carboxamide has a molecular weight of 313.79 g/mol, XLogP of 1.39, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(4-hydroxyoxan-4-yl)methyl]-N-methyl-6-(methylamino)pyridine-4-carboxamide is sourced from PubChem (CID 114953146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).