4-[[5-cyano-6-[[(3R)-oxan-3-yl]amino]-2-pyridinyl]amino]-N,N-dimethylcyclohexane-1-carboxamide

C20H29N5O2 — CID 139316672

IUPAC4-[[5-cyano-6-[[(3R)-oxan-3-yl]amino]-2-pyridinyl]amino]-N,N-dimethylcyclohexane-1-carboxamide
SMILESCN(C)C(=O)C1CCC(Nc2ccc(C#N)c(N[C@@H]3CCCOC3)n2)CC1
InChIInChI=1S/C20H29N5O2/c1-25(2)20(26)14-5-8-16(9-6-14)22-18-10-7-15(12-21)19(24-18)23-17-4-3-11-27-13-17/h7,10,14,16-17H,3-6,8-9,11,13H2,1-2H3,(H2,22,23,24)/t14?,16?,17-/m1/s1
InChIKeyUQWVNEMFACQXMO-BDVYOWHSSA-N
MW371.49 g/mol
LogP2.60
Rot. Bonds5

About 4-[[5-cyano-6-[[(3R)-oxan-3-yl]amino]-2-pyridinyl]amino]-N,N-dimethylcyclohexane-1-carboxamide

4-[[5-cyano-6-[[(3R)-oxan-3-yl]amino]-2-pyridinyl]amino]-N,N-dimethylcyclohexane-1-carboxamide (PubChem CID 139316672) has the molecular formula C20H29N5O2 and a molecular weight of 371.49 g/mol. Its IUPAC name is 4-[[5-cyano-6-[[(3R)-oxan-3-yl]amino]-2-pyridinyl]amino]-N,N-dimethylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-[[5-cyano-6-[[(3R)-oxan-3-yl]amino]-2-pyridinyl]amino]-N,N-dimethylcyclohexane-1-carboxamide
PubChem CID139316672
Molecular FormulaC20H29N5O2
Molecular Weight371.49 g/mol
Exact Mass371.23
IUPAC Name4-[[5-cyano-6-[[(3R)-oxan-3-yl]amino]-2-pyridinyl]amino]-N,N-dimethylcyclohexane-1-carboxamide
SMILESCN(C)C(=O)C1CCC(Nc2ccc(C#N)c(N[C@@H]3CCCOC3)n2)CC1
InChIInChI=1S/C20H29N5O2/c1-25(2)20(26)14-5-8-16(9-6-14)22-18-10-7-15(12-21)19(24-18)23-17-4-3-11-27-13-17/h7,10,14,16-17H,3-6,8-9,11,13H2,1-2H3,(H2,22,23,24)/t14?,16?,17-/m1/s1
InChIKeyUQWVNEMFACQXMO-BDVYOWHSSA-N
XLogP2.60
TPSA90.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.49
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[5-cyano-6-[[(3R)-oxan-3-yl]amino]-2-pyridinyl]amino]-N,N-dimethylcyclohexane-1-carboxamide?
The IUPAC name of 4-[[5-cyano-6-[[(3R)-oxan-3-yl]amino]-2-pyridinyl]amino]-N,N-dimethylcyclohexane-1-carboxamide (CID 139316672) is 4-[[5-cyano-6-[[(3R)-oxan-3-yl]amino]-2-pyridinyl]amino]-N,N-dimethylcyclohexane-1-carboxamide.
What is the SMILES notation for 4-[[5-cyano-6-[[(3R)-oxan-3-yl]amino]-2-pyridinyl]amino]-N,N-dimethylcyclohexane-1-carboxamide?
The canonical SMILES for 4-[[5-cyano-6-[[(3R)-oxan-3-yl]amino]-2-pyridinyl]amino]-N,N-dimethylcyclohexane-1-carboxamide is CN(C)C(=O)C1CCC(Nc2ccc(C#N)c(N[C@@H]3CCCOC3)n2)CC1.
What is the InChIKey of 4-[[5-cyano-6-[[(3R)-oxan-3-yl]amino]-2-pyridinyl]amino]-N,N-dimethylcyclohexane-1-carboxamide?
The InChIKey is UQWVNEMFACQXMO-BDVYOWHSSA-N. The full InChI is InChI=1S/C20H29N5O2/c1-25(2)20(26)14-5-8-16(9-6-14)22-18-10-7-15(12-21)19(24-18)23-17-4-3-11-27-13-17/h7,10,14,16-17H,3-6,8-9,11,13H2,1-2H3,(H2,22,23,24)/t14?,16?,17-/m1/s1.
What are the key properties of 4-[[5-cyano-6-[[(3R)-oxan-3-yl]amino]-2-pyridinyl]amino]-N,N-dimethylcyclohexane-1-carboxamide?
4-[[5-cyano-6-[[(3R)-oxan-3-yl]amino]-2-pyridinyl]amino]-N,N-dimethylcyclohexane-1-carboxamide has a molecular weight of 371.49 g/mol, XLogP of 2.60, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-cyano-6-[[(3R)-oxan-3-yl]amino]-2-pyridinyl]amino]-N,N-dimethylcyclohexane-1-carboxamide is sourced from PubChem (CID 139316672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).