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

C22H28N8O — CID 90354456

IUPAC5-[[(1R,2S)-2-aminocyclohexyl]amino]-3-[[6-methyl-4-(2-methylpyrazol-3-yl)-2-pyridinyl]amino]pyridine-2-carboxamide
SMILESCc1cc(-c2ccnn2C)cc(Nc2cc(N[C@@H]3CCCC[C@@H]3N)cnc2C(N)=O)n1
InChIInChI=1S/C22H28N8O/c1-13-9-14(19-7-8-26-30(19)2)10-20(27-13)29-18-11-15(12-25-21(18)22(24)31)28-17-6-4-3-5-16(17)23/h7-12,16-17,28H,3-6,23H2,1-2H3,(H2,24,31)(H,27,29)/t16-,17+/m0/s1
InChIKeyPPFDWLWOWDENHX-DLBZAZTESA-N
MW420.52 g/mol
LogP2.71
Rot. Bonds6

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

5-[[(1R,2S)-2-aminocyclohexyl]amino]-3-[[6-methyl-4-(2-methylpyrazol-3-yl)-2-pyridinyl]amino]pyridine-2-carboxamide (PubChem CID 90354456) has the molecular formula C22H28N8O and a molecular weight of 420.52 g/mol. Its IUPAC name is 5-[[(1R,2S)-2-aminocyclohexyl]amino]-3-[[6-methyl-4-(2-methylpyrazol-3-yl)-2-pyridinyl]amino]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-[[(1R,2S)-2-aminocyclohexyl]amino]-3-[[6-methyl-4-(2-methylpyrazol-3-yl)-2-pyridinyl]amino]pyridine-2-carboxamide
PubChem CID90354456
Molecular FormulaC22H28N8O
Molecular Weight420.52 g/mol
Exact Mass420.24
IUPAC Name5-[[(1R,2S)-2-aminocyclohexyl]amino]-3-[[6-methyl-4-(2-methylpyrazol-3-yl)-2-pyridinyl]amino]pyridine-2-carboxamide
SMILESCc1cc(-c2ccnn2C)cc(Nc2cc(N[C@@H]3CCCC[C@@H]3N)cnc2C(N)=O)n1
InChIInChI=1S/C22H28N8O/c1-13-9-14(19-7-8-26-30(19)2)10-20(27-13)29-18-11-15(12-25-21(18)22(24)31)28-17-6-4-3-5-16(17)23/h7-12,16-17,28H,3-6,23H2,1-2H3,(H2,24,31)(H,27,29)/t16-,17+/m0/s1
InChIKeyPPFDWLWOWDENHX-DLBZAZTESA-N
XLogP2.71
TPSA136.77 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.52
LogP ≤ 52.71
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-[[6-methyl-4-(2-methylpyrazol-3-yl)-2-pyridinyl]amino]pyridine-2-carboxamide?
The IUPAC name of 5-[[(1R,2S)-2-aminocyclohexyl]amino]-3-[[6-methyl-4-(2-methylpyrazol-3-yl)-2-pyridinyl]amino]pyridine-2-carboxamide (CID 90354456) is 5-[[(1R,2S)-2-aminocyclohexyl]amino]-3-[[6-methyl-4-(2-methylpyrazol-3-yl)-2-pyridinyl]amino]pyridine-2-carboxamide.
What is the SMILES notation for 5-[[(1R,2S)-2-aminocyclohexyl]amino]-3-[[6-methyl-4-(2-methylpyrazol-3-yl)-2-pyridinyl]amino]pyridine-2-carboxamide?
The canonical SMILES for 5-[[(1R,2S)-2-aminocyclohexyl]amino]-3-[[6-methyl-4-(2-methylpyrazol-3-yl)-2-pyridinyl]amino]pyridine-2-carboxamide is Cc1cc(-c2ccnn2C)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-(2-methylpyrazol-3-yl)-2-pyridinyl]amino]pyridine-2-carboxamide?
The InChIKey is PPFDWLWOWDENHX-DLBZAZTESA-N. The full InChI is InChI=1S/C22H28N8O/c1-13-9-14(19-7-8-26-30(19)2)10-20(27-13)29-18-11-15(12-25-21(18)22(24)31)28-17-6-4-3-5-16(17)23/h7-12,16-17,28H,3-6,23H2,1-2H3,(H2,24,31)(H,27,29)/t16-,17+/m0/s1.
What are the key properties of 5-[[(1R,2S)-2-aminocyclohexyl]amino]-3-[[6-methyl-4-(2-methylpyrazol-3-yl)-2-pyridinyl]amino]pyridine-2-carboxamide?
5-[[(1R,2S)-2-aminocyclohexyl]amino]-3-[[6-methyl-4-(2-methylpyrazol-3-yl)-2-pyridinyl]amino]pyridine-2-carboxamide has a molecular weight of 420.52 g/mol, XLogP of 2.71, 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-[[6-methyl-4-(2-methylpyrazol-3-yl)-2-pyridinyl]amino]pyridine-2-carboxamide is sourced from PubChem (CID 90354456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).