5-[[(1R,2S)-2-aminocyclohexyl]amino]-3-[(3-phenyl-1,2,4-oxadiazol-5-yl)amino]pyridine-2-carboxamide

C20H23N7O2 — CID 72709837

IUPAC5-[[(1R,2S)-2-aminocyclohexyl]amino]-3-[(3-phenyl-1,2,4-oxadiazol-5-yl)amino]pyridine-2-carboxamide
SMILESNC(=O)c1ncc(N[C@@H]2CCCC[C@@H]2N)cc1Nc1nc(-c2ccccc2)no1
InChIInChI=1S/C20H23N7O2/c21-14-8-4-5-9-15(14)24-13-10-16(17(18(22)28)23-11-13)25-20-26-19(27-29-20)12-6-2-1-3-7-12/h1-3,6-7,10-11,14-15,24H,4-5,8-9,21H2,(H2,22,28)(H,25,26,27)/t14-,15+/m0/s1
InChIKeyWEZBNZZNZRQDTP-LSDHHAIUSA-N
MW393.45 g/mol
LogP2.66
Rot. Bonds6

About 5-[[(1R,2S)-2-aminocyclohexyl]amino]-3-[(3-phenyl-1,2,4-oxadiazol-5-yl)amino]pyridine-2-carboxamide

5-[[(1R,2S)-2-aminocyclohexyl]amino]-3-[(3-phenyl-1,2,4-oxadiazol-5-yl)amino]pyridine-2-carboxamide (PubChem CID 72709837) has the molecular formula C20H23N7O2 and a molecular weight of 393.45 g/mol. Its IUPAC name is 5-[[(1R,2S)-2-aminocyclohexyl]amino]-3-[(3-phenyl-1,2,4-oxadiazol-5-yl)amino]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-[[(1R,2S)-2-aminocyclohexyl]amino]-3-[(3-phenyl-1,2,4-oxadiazol-5-yl)amino]pyridine-2-carboxamide
PubChem CID72709837
Molecular FormulaC20H23N7O2
Molecular Weight393.45 g/mol
Exact Mass393.19
IUPAC Name5-[[(1R,2S)-2-aminocyclohexyl]amino]-3-[(3-phenyl-1,2,4-oxadiazol-5-yl)amino]pyridine-2-carboxamide
SMILESNC(=O)c1ncc(N[C@@H]2CCCC[C@@H]2N)cc1Nc1nc(-c2ccccc2)no1
InChIInChI=1S/C20H23N7O2/c21-14-8-4-5-9-15(14)24-13-10-16(17(18(22)28)23-11-13)25-20-26-19(27-29-20)12-6-2-1-3-7-12/h1-3,6-7,10-11,14-15,24H,4-5,8-9,21H2,(H2,22,28)(H,25,26,27)/t14-,15+/m0/s1
InChIKeyWEZBNZZNZRQDTP-LSDHHAIUSA-N
XLogP2.66
TPSA144.98 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.45
LogP ≤ 52.66
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[[(1R,2S)-2-aminocyclohexyl]amino]-3-[(3-phenyl-1,2,4-oxadiazol-5-yl)amino]pyridine-2-carboxamide?
The IUPAC name of 5-[[(1R,2S)-2-aminocyclohexyl]amino]-3-[(3-phenyl-1,2,4-oxadiazol-5-yl)amino]pyridine-2-carboxamide (CID 72709837) is 5-[[(1R,2S)-2-aminocyclohexyl]amino]-3-[(3-phenyl-1,2,4-oxadiazol-5-yl)amino]pyridine-2-carboxamide.
What is the SMILES notation for 5-[[(1R,2S)-2-aminocyclohexyl]amino]-3-[(3-phenyl-1,2,4-oxadiazol-5-yl)amino]pyridine-2-carboxamide?
The canonical SMILES for 5-[[(1R,2S)-2-aminocyclohexyl]amino]-3-[(3-phenyl-1,2,4-oxadiazol-5-yl)amino]pyridine-2-carboxamide is NC(=O)c1ncc(N[C@@H]2CCCC[C@@H]2N)cc1Nc1nc(-c2ccccc2)no1.
What is the InChIKey of 5-[[(1R,2S)-2-aminocyclohexyl]amino]-3-[(3-phenyl-1,2,4-oxadiazol-5-yl)amino]pyridine-2-carboxamide?
The InChIKey is WEZBNZZNZRQDTP-LSDHHAIUSA-N. The full InChI is InChI=1S/C20H23N7O2/c21-14-8-4-5-9-15(14)24-13-10-16(17(18(22)28)23-11-13)25-20-26-19(27-29-20)12-6-2-1-3-7-12/h1-3,6-7,10-11,14-15,24H,4-5,8-9,21H2,(H2,22,28)(H,25,26,27)/t14-,15+/m0/s1.
What are the key properties of 5-[[(1R,2S)-2-aminocyclohexyl]amino]-3-[(3-phenyl-1,2,4-oxadiazol-5-yl)amino]pyridine-2-carboxamide?
5-[[(1R,2S)-2-aminocyclohexyl]amino]-3-[(3-phenyl-1,2,4-oxadiazol-5-yl)amino]pyridine-2-carboxamide has a molecular weight of 393.45 g/mol, XLogP of 2.66, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(1R,2S)-2-aminocyclohexyl]amino]-3-[(3-phenyl-1,2,4-oxadiazol-5-yl)amino]pyridine-2-carboxamide is sourced from PubChem (CID 72709837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).