3-[(4,6-dimethyl-2-pyridinyl)amino]-5-[[(1R,2S)-2-hydroxycyclohexyl]amino]pyridine-2-carboxamide

C19H25N5O2 — CID 118733357

IUPAC3-[(4,6-dimethyl-2-pyridinyl)amino]-5-[[(1R,2S)-2-hydroxycyclohexyl]amino]pyridine-2-carboxamide
SMILESCc1cc(C)nc(Nc2cc(N[C@@H]3CCCC[C@@H]3O)cnc2C(N)=O)c1
InChIInChI=1S/C19H25N5O2/c1-11-7-12(2)22-17(8-11)24-15-9-13(10-21-18(15)19(20)26)23-14-5-3-4-6-16(14)25/h7-10,14,16,23,25H,3-6H2,1-2H3,(H2,20,26)(H,22,24)/t14-,16+/m1/s1
InChIKeyHPROZIJWDVYNDL-ZBFHGGJFSA-N
MW355.44 g/mol
LogP2.65
Rot. Bonds5

About 3-[(4,6-dimethyl-2-pyridinyl)amino]-5-[[(1R,2S)-2-hydroxycyclohexyl]amino]pyridine-2-carboxamide

3-[(4,6-dimethyl-2-pyridinyl)amino]-5-[[(1R,2S)-2-hydroxycyclohexyl]amino]pyridine-2-carboxamide (PubChem CID 118733357) has the molecular formula C19H25N5O2 and a molecular weight of 355.44 g/mol. Its IUPAC name is 3-[(4,6-dimethyl-2-pyridinyl)amino]-5-[[(1R,2S)-2-hydroxycyclohexyl]amino]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-[(4,6-dimethyl-2-pyridinyl)amino]-5-[[(1R,2S)-2-hydroxycyclohexyl]amino]pyridine-2-carboxamide
PubChem CID118733357
Molecular FormulaC19H25N5O2
Molecular Weight355.44 g/mol
Exact Mass355.20
IUPAC Name3-[(4,6-dimethyl-2-pyridinyl)amino]-5-[[(1R,2S)-2-hydroxycyclohexyl]amino]pyridine-2-carboxamide
SMILESCc1cc(C)nc(Nc2cc(N[C@@H]3CCCC[C@@H]3O)cnc2C(N)=O)c1
InChIInChI=1S/C19H25N5O2/c1-11-7-12(2)22-17(8-11)24-15-9-13(10-21-18(15)19(20)26)23-14-5-3-4-6-16(14)25/h7-10,14,16,23,25H,3-6H2,1-2H3,(H2,20,26)(H,22,24)/t14-,16+/m1/s1
InChIKeyHPROZIJWDVYNDL-ZBFHGGJFSA-N
XLogP2.65
TPSA113.16 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 52.65
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 3-[(4,6-dimethyl-2-pyridinyl)amino]-5-[[(1R,2S)-2-hydroxycyclohexyl]amino]pyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[(4,6-dimethyl-2-pyridinyl)amino]-5-[[(1R,2S)-2-hydroxycyclohexyl]amino]pyridine-2-carboxamide?
The IUPAC name of 3-[(4,6-dimethyl-2-pyridinyl)amino]-5-[[(1R,2S)-2-hydroxycyclohexyl]amino]pyridine-2-carboxamide (CID 118733357) is 3-[(4,6-dimethyl-2-pyridinyl)amino]-5-[[(1R,2S)-2-hydroxycyclohexyl]amino]pyridine-2-carboxamide.
What is the SMILES notation for 3-[(4,6-dimethyl-2-pyridinyl)amino]-5-[[(1R,2S)-2-hydroxycyclohexyl]amino]pyridine-2-carboxamide?
The canonical SMILES for 3-[(4,6-dimethyl-2-pyridinyl)amino]-5-[[(1R,2S)-2-hydroxycyclohexyl]amino]pyridine-2-carboxamide is Cc1cc(C)nc(Nc2cc(N[C@@H]3CCCC[C@@H]3O)cnc2C(N)=O)c1.
What is the InChIKey of 3-[(4,6-dimethyl-2-pyridinyl)amino]-5-[[(1R,2S)-2-hydroxycyclohexyl]amino]pyridine-2-carboxamide?
The InChIKey is HPROZIJWDVYNDL-ZBFHGGJFSA-N. The full InChI is InChI=1S/C19H25N5O2/c1-11-7-12(2)22-17(8-11)24-15-9-13(10-21-18(15)19(20)26)23-14-5-3-4-6-16(14)25/h7-10,14,16,23,25H,3-6H2,1-2H3,(H2,20,26)(H,22,24)/t14-,16+/m1/s1.
What are the key properties of 3-[(4,6-dimethyl-2-pyridinyl)amino]-5-[[(1R,2S)-2-hydroxycyclohexyl]amino]pyridine-2-carboxamide?
3-[(4,6-dimethyl-2-pyridinyl)amino]-5-[[(1R,2S)-2-hydroxycyclohexyl]amino]pyridine-2-carboxamide has a molecular weight of 355.44 g/mol, XLogP of 2.65, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4,6-dimethyl-2-pyridinyl)amino]-5-[[(1R,2S)-2-hydroxycyclohexyl]amino]pyridine-2-carboxamide is sourced from PubChem (CID 118733357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).