5-chloro-N-methyl-2-(methylamino)-N-(oxan-4-ylmethyl)pyridine-4-carboxamide

C14H20ClN3O2 — CID 114923612

IUPAC5-chloro-N-methyl-2-(methylamino)-N-(oxan-4-ylmethyl)pyridine-4-carboxamide
SMILESCNc1cc(C(=O)N(C)CC2CCOCC2)c(Cl)cn1
InChIInChI=1S/C14H20ClN3O2/c1-16-13-7-11(12(15)8-17-13)14(19)18(2)9-10-3-5-20-6-4-10/h7-8,10H,3-6,9H2,1-2H3,(H,16,17)
InChIKeyNCSFQSKGMFXTMQ-UHFFFAOYSA-N
MW297.79 g/mol
LogP2.28
Rot. Bonds4

About 5-chloro-N-methyl-2-(methylamino)-N-(oxan-4-ylmethyl)pyridine-4-carboxamide

5-chloro-N-methyl-2-(methylamino)-N-(oxan-4-ylmethyl)pyridine-4-carboxamide (PubChem CID 114923612) has the molecular formula C14H20ClN3O2 and a molecular weight of 297.79 g/mol. Its IUPAC name is 5-chloro-N-methyl-2-(methylamino)-N-(oxan-4-ylmethyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name5-chloro-N-methyl-2-(methylamino)-N-(oxan-4-ylmethyl)pyridine-4-carboxamide
PubChem CID114923612
Molecular FormulaC14H20ClN3O2
Molecular Weight297.79 g/mol
Exact Mass297.12
IUPAC Name5-chloro-N-methyl-2-(methylamino)-N-(oxan-4-ylmethyl)pyridine-4-carboxamide
SMILESCNc1cc(C(=O)N(C)CC2CCOCC2)c(Cl)cn1
InChIInChI=1S/C14H20ClN3O2/c1-16-13-7-11(12(15)8-17-13)14(19)18(2)9-10-3-5-20-6-4-10/h7-8,10H,3-6,9H2,1-2H3,(H,16,17)
InChIKeyNCSFQSKGMFXTMQ-UHFFFAOYSA-N
XLogP2.28
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.79
LogP ≤ 52.28
H-Bond Donors ≤ 51
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-2-(methylamino)-N-(oxolan-3-ylmethyl)pyridine-4-carboxamide
CID 114923351
5-chloro-2-(ethylamino)-N-methyl-N-(oxolan-2-ylmethyl)pyridine-4-carboxamide
CID 114922760
6-amino-5-chloro-N-methyl-N-(oxan-4-ylmethyl)pyridine-3-carboxamide
CID 63707112
N-methyl-2-(methylamino)-N-(oxan-4-ylmethyl)pyridine-3-carboxamide
CID 63706966
5-chloro-N-(2-hydroxycyclohexyl)-N-methyl-2-(methylamino)pyridine-4-carboxamide
CID 102636807
N-methyl-6-(methylamino)-N-(oxan-4-ylmethyl)pyridine-2-carboxamide
CID 63707262
5-chloro-N-methyl-2-(methylamino)-N-(1-methylpiperidin-4-yl)pyridine-4-carboxamide
CID 114921836
N-(cyclopropylmethyl)-N-methyl-6-(methylamino)pyridine-3-carboxamide
CID 62179892
2,6-dichloro-N-methyl-N-(oxan-4-ylmethyl)pyridine-3-carboxamide
CID 103881825
5-chloro-N-(1H-imidazol-2-ylmethyl)-N-methyl-2-(methylamino)pyridine-4-carboxamide
CID 114923790
5-bromo-2-hydrazinyl-N-methyl-N-(oxan-4-ylmethyl)pyridine-3-carboxamide
CID 63707617

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-methyl-2-(methylamino)-N-(oxan-4-ylmethyl)pyridine-4-carboxamide?
The IUPAC name of 5-chloro-N-methyl-2-(methylamino)-N-(oxan-4-ylmethyl)pyridine-4-carboxamide (CID 114923612) is 5-chloro-N-methyl-2-(methylamino)-N-(oxan-4-ylmethyl)pyridine-4-carboxamide.
What is the SMILES notation for 5-chloro-N-methyl-2-(methylamino)-N-(oxan-4-ylmethyl)pyridine-4-carboxamide?
The canonical SMILES for 5-chloro-N-methyl-2-(methylamino)-N-(oxan-4-ylmethyl)pyridine-4-carboxamide is CNc1cc(C(=O)N(C)CC2CCOCC2)c(Cl)cn1.
What is the InChIKey of 5-chloro-N-methyl-2-(methylamino)-N-(oxan-4-ylmethyl)pyridine-4-carboxamide?
The InChIKey is NCSFQSKGMFXTMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O2/c1-16-13-7-11(12(15)8-17-13)14(19)18(2)9-10-3-5-20-6-4-10/h7-8,10H,3-6,9H2,1-2H3,(H,16,17).
What are the key properties of 5-chloro-N-methyl-2-(methylamino)-N-(oxan-4-ylmethyl)pyridine-4-carboxamide?
5-chloro-N-methyl-2-(methylamino)-N-(oxan-4-ylmethyl)pyridine-4-carboxamide has a molecular weight of 297.79 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-methyl-2-(methylamino)-N-(oxan-4-ylmethyl)pyridine-4-carboxamide is sourced from PubChem (CID 114923612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).