5-chloro-6-[[3-(2-methylpropoxy)phenyl]methylamino]pyridine-3-carboxamide

C17H20ClN3O2 — CID 133272654

IUPAC5-chloro-6-[[3-(2-methylpropoxy)phenyl]methylamino]pyridine-3-carboxamide
SMILESCC(C)COc1cccc(CNc2ncc(C(N)=O)cc2Cl)c1
InChIInChI=1S/C17H20ClN3O2/c1-11(2)10-23-14-5-3-4-12(6-14)8-20-17-15(18)7-13(9-21-17)16(19)22/h3-7,9,11H,8,10H2,1-2H3,(H2,19,22)(H,20,21)
InChIKeyFKKDYYAJNUOPHF-UHFFFAOYSA-N
MW333.82 g/mol
LogP3.48
Rot. Bonds7

About 5-chloro-6-[[3-(2-methylpropoxy)phenyl]methylamino]pyridine-3-carboxamide

5-chloro-6-[[3-(2-methylpropoxy)phenyl]methylamino]pyridine-3-carboxamide (PubChem CID 133272654) has the molecular formula C17H20ClN3O2 and a molecular weight of 333.82 g/mol. Its IUPAC name is 5-chloro-6-[[3-(2-methylpropoxy)phenyl]methylamino]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-6-[[3-(2-methylpropoxy)phenyl]methylamino]pyridine-3-carboxamide
PubChem CID133272654
Molecular FormulaC17H20ClN3O2
Molecular Weight333.82 g/mol
Exact Mass333.12
IUPAC Name5-chloro-6-[[3-(2-methylpropoxy)phenyl]methylamino]pyridine-3-carboxamide
SMILESCC(C)COc1cccc(CNc2ncc(C(N)=O)cc2Cl)c1
InChIInChI=1S/C17H20ClN3O2/c1-11(2)10-23-14-5-3-4-12(6-14)8-20-17-15(18)7-13(9-21-17)16(19)22/h3-7,9,11H,8,10H2,1-2H3,(H2,19,22)(H,20,21)
InChIKeyFKKDYYAJNUOPHF-UHFFFAOYSA-N
XLogP3.48
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.82
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[3-(2-methylpropoxy)phenyl]methylamino]pyridine-3-carboxamide
CID 133468564
6-[(4-bromophenyl)methylamino]-5-chloropyridine-3-carboxamide
CID 133292879
2,4,5-trichloro-N-[[3-(2-methylpropoxy)phenyl]methyl]aniline
CID 54797603
5-chloro-6-[[4-[(2-fluorophenyl)methoxy]phenyl]methylamino]pyridine-3-carboxamide
CID 133477282
2-chloro-N-[[3-(2-methylpropoxy)phenyl]methyl]acetamide
CID 166403692
6-[[(2S)-1-(benzylamino)-1-oxopropan-2-yl]amino]-5-chloropyridine-3-carboxamide
CID 94588614
5-chloro-6-[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]pyridine-3-carboxamide
CID 56798988
3-methoxy-N-[[3-(2-methylpropoxy)phenyl]methyl]aniline
CID 39386919
tert-butyl N-[[3-(2-methylpropoxy)phenyl]methyl]carbamate
CID 138586671
5-chloro-6-[(2-methylpyrimidin-4-yl)methylamino]pyridine-3-carboxamide
CID 47059518
3-[[3-(2-methylpropoxy)phenyl]methylamino]pyrazine-2-carbonitrile
CID 133284148
5-chloro-6-[[2-hydroxy-2-(3-methylphenyl)ethyl]amino]pyridine-3-carboxamide
CID 133375865

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-[[3-(2-methylpropoxy)phenyl]methylamino]pyridine-3-carboxamide?
The IUPAC name of 5-chloro-6-[[3-(2-methylpropoxy)phenyl]methylamino]pyridine-3-carboxamide (CID 133272654) is 5-chloro-6-[[3-(2-methylpropoxy)phenyl]methylamino]pyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-6-[[3-(2-methylpropoxy)phenyl]methylamino]pyridine-3-carboxamide?
The canonical SMILES for 5-chloro-6-[[3-(2-methylpropoxy)phenyl]methylamino]pyridine-3-carboxamide is CC(C)COc1cccc(CNc2ncc(C(N)=O)cc2Cl)c1.
What is the InChIKey of 5-chloro-6-[[3-(2-methylpropoxy)phenyl]methylamino]pyridine-3-carboxamide?
The InChIKey is FKKDYYAJNUOPHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O2/c1-11(2)10-23-14-5-3-4-12(6-14)8-20-17-15(18)7-13(9-21-17)16(19)22/h3-7,9,11H,8,10H2,1-2H3,(H2,19,22)(H,20,21).
What are the key properties of 5-chloro-6-[[3-(2-methylpropoxy)phenyl]methylamino]pyridine-3-carboxamide?
5-chloro-6-[[3-(2-methylpropoxy)phenyl]methylamino]pyridine-3-carboxamide has a molecular weight of 333.82 g/mol, XLogP of 3.48, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-[[3-(2-methylpropoxy)phenyl]methylamino]pyridine-3-carboxamide is sourced from PubChem (CID 133272654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).