5-[[(1R,2S)-2-aminocyclohexyl]amino]-3-[(6-methyl-4-propan-2-yloxy-2-pyridinyl)amino]pyridine-2-carboxamide

C21H30N6O2 — CID 71547583

IUPAC5-[[(1R,2S)-2-aminocyclohexyl]amino]-3-[(6-methyl-4-propan-2-yloxy-2-pyridinyl)amino]pyridine-2-carboxamide
SMILESCc1cc(OC(C)C)cc(Nc2cc(N[C@@H]3CCCC[C@@H]3N)cnc2C(N)=O)n1
InChIInChI=1S/C21H30N6O2/c1-12(2)29-15-8-13(3)25-19(10-15)27-18-9-14(11-24-20(18)21(23)28)26-17-7-5-4-6-16(17)22/h8-12,16-17,26H,4-7,22H2,1-3H3,(H2,23,28)(H,25,27)/t16-,17+/m0/s1
InChIKeyKTNWGPUWMVEPMO-DLBZAZTESA-N
MW398.51 g/mol
LogP3.10
Rot. Bonds7

About 5-[[(1R,2S)-2-aminocyclohexyl]amino]-3-[(6-methyl-4-propan-2-yloxy-2-pyridinyl)amino]pyridine-2-carboxamide

5-[[(1R,2S)-2-aminocyclohexyl]amino]-3-[(6-methyl-4-propan-2-yloxy-2-pyridinyl)amino]pyridine-2-carboxamide (PubChem CID 71547583) has the molecular formula C21H30N6O2 and a molecular weight of 398.51 g/mol. Its IUPAC name is 5-[[(1R,2S)-2-aminocyclohexyl]amino]-3-[(6-methyl-4-propan-2-yloxy-2-pyridinyl)amino]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-[[(1R,2S)-2-aminocyclohexyl]amino]-3-[(6-methyl-4-propan-2-yloxy-2-pyridinyl)amino]pyridine-2-carboxamide
PubChem CID71547583
Molecular FormulaC21H30N6O2
Molecular Weight398.51 g/mol
Exact Mass398.24
IUPAC Name5-[[(1R,2S)-2-aminocyclohexyl]amino]-3-[(6-methyl-4-propan-2-yloxy-2-pyridinyl)amino]pyridine-2-carboxamide
SMILESCc1cc(OC(C)C)cc(Nc2cc(N[C@@H]3CCCC[C@@H]3N)cnc2C(N)=O)n1
InChIInChI=1S/C21H30N6O2/c1-12(2)29-15-8-13(3)25-19(10-15)27-18-9-14(11-24-20(18)21(23)28)26-17-7-5-4-6-16(17)22/h8-12,16-17,26H,4-7,22H2,1-3H3,(H2,23,28)(H,25,27)/t16-,17+/m0/s1
InChIKeyKTNWGPUWMVEPMO-DLBZAZTESA-N
XLogP3.10
TPSA128.18 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 53.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze 5-[[(1R,2S)-2-aminocyclohexyl]amino]-3-[(6-methyl-4-propan-2-yloxy-2-pyridinyl)amino]pyridine-2-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

5-[[(1R,2S)-2-aminocyclohexyl]amino]-3-[(4-methoxy-6-methyl-2-pyridinyl)amino]pyridine-2-carboxamide
CID 71547584
5-[[(3S,4S)-4-amino-1,1-dioxothian-3-yl]amino]-3-[(4-methoxy-6-methyl-2-pyridinyl)amino]pyridine-2-carboxamide
CID 71548006
5-[[(1R,2S)-2-aminocyclohexyl]amino]-3-[[6-(2-hydroxy-2-methylpropoxy)-2-methylpyrimidin-4-yl]amino]pyridine-2-carboxamide
CID 118733353
6-methyl-4-(oxolan-2-ylmethoxy)-N-pyridin-2-ylpyridine-2-carboxamide
CID 118612909
4-cyclobutyloxy-6-methyl-N-pyridin-2-ylpyridine-2-carboxamide
CID 118612946
6-methyl-4-(oxetan-3-yloxy)-N-pyridin-2-ylpyridine-2-carboxamide
CID 118612948
4-cyclobutyloxy-N-(5-fluoro-2-pyridinyl)-6-methylpyridine-2-carboxamide
CID 118613016
N-(5-fluoro-2-pyridinyl)-6-methyl-4-(oxan-3-yloxy)pyridine-2-carboxamide
CID 118613058
6-methyl-4-(oxetan-2-ylmethoxy)-N-pyridin-2-ylpyridine-2-carboxamide
CID 118613060
6-methyl-4-(oxan-3-yloxy)-N-pyridin-2-ylpyridine-2-carboxamide
CID 118613088
4-cyclopentyloxy-6-methyl-N-pyridin-2-ylpyridine-2-carboxamide
CID 118613130
6-methyl-4-[(3S)-oxolan-3-yl]oxy-N-pyridin-2-ylpyridine-2-carboxamide
CID 118613141

Frequently Asked Questions

What is the IUPAC name of 5-[[(1R,2S)-2-aminocyclohexyl]amino]-3-[(6-methyl-4-propan-2-yloxy-2-pyridinyl)amino]pyridine-2-carboxamide?
The IUPAC name of 5-[[(1R,2S)-2-aminocyclohexyl]amino]-3-[(6-methyl-4-propan-2-yloxy-2-pyridinyl)amino]pyridine-2-carboxamide (CID 71547583) is 5-[[(1R,2S)-2-aminocyclohexyl]amino]-3-[(6-methyl-4-propan-2-yloxy-2-pyridinyl)amino]pyridine-2-carboxamide.
What is the SMILES notation for 5-[[(1R,2S)-2-aminocyclohexyl]amino]-3-[(6-methyl-4-propan-2-yloxy-2-pyridinyl)amino]pyridine-2-carboxamide?
The canonical SMILES for 5-[[(1R,2S)-2-aminocyclohexyl]amino]-3-[(6-methyl-4-propan-2-yloxy-2-pyridinyl)amino]pyridine-2-carboxamide is Cc1cc(OC(C)C)cc(Nc2cc(N[C@@H]3CCCC[C@@H]3N)cnc2C(N)=O)n1.
What is the InChIKey of 5-[[(1R,2S)-2-aminocyclohexyl]amino]-3-[(6-methyl-4-propan-2-yloxy-2-pyridinyl)amino]pyridine-2-carboxamide?
The InChIKey is KTNWGPUWMVEPMO-DLBZAZTESA-N. The full InChI is InChI=1S/C21H30N6O2/c1-12(2)29-15-8-13(3)25-19(10-15)27-18-9-14(11-24-20(18)21(23)28)26-17-7-5-4-6-16(17)22/h8-12,16-17,26H,4-7,22H2,1-3H3,(H2,23,28)(H,25,27)/t16-,17+/m0/s1.
What are the key properties of 5-[[(1R,2S)-2-aminocyclohexyl]amino]-3-[(6-methyl-4-propan-2-yloxy-2-pyridinyl)amino]pyridine-2-carboxamide?
5-[[(1R,2S)-2-aminocyclohexyl]amino]-3-[(6-methyl-4-propan-2-yloxy-2-pyridinyl)amino]pyridine-2-carboxamide has a molecular weight of 398.51 g/mol, XLogP of 3.10, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(1R,2S)-2-aminocyclohexyl]amino]-3-[(6-methyl-4-propan-2-yloxy-2-pyridinyl)amino]pyridine-2-carboxamide is sourced from PubChem (CID 71547583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).