(2R)-2-[[6-(4-aminopiperidin-1-yl)-3,5-dicyano-4-ethyl-2-pyridinyl]amino]-2-phenylacetamide

C22H25N7O — CID 162679618

IUPAC(2R)-2-[[6-(4-aminopiperidin-1-yl)-3,5-dicyano-4-ethyl-2-pyridinyl]amino]-2-phenylacetamide
SMILESCCc1c(C#N)c(N[C@@H](C(N)=O)c2ccccc2)nc(N2CCC(N)CC2)c1C#N
InChIInChI=1S/C22H25N7O/c1-2-16-17(12-23)21(27-19(20(26)30)14-6-4-3-5-7-14)28-22(18(16)13-24)29-10-8-15(25)9-11-29/h3-7,15,19H,2,8-11,25H2,1H3,(H2,26,30)(H,27,28)/t19-/m1/s1
InChIKeyKTLVWLAGCPGLOU-LJQANCHMSA-N
MW403.49 g/mol
LogP1.95
Rot. Bonds6

About (2R)-2-[[6-(4-aminopiperidin-1-yl)-3,5-dicyano-4-ethyl-2-pyridinyl]amino]-2-phenylacetamide

(2R)-2-[[6-(4-aminopiperidin-1-yl)-3,5-dicyano-4-ethyl-2-pyridinyl]amino]-2-phenylacetamide (PubChem CID 162679618) has the molecular formula C22H25N7O and a molecular weight of 403.49 g/mol. Its IUPAC name is (2R)-2-[[6-(4-aminopiperidin-1-yl)-3,5-dicyano-4-ethyl-2-pyridinyl]amino]-2-phenylacetamide.

Molecular Properties

Compound Name(2R)-2-[[6-(4-aminopiperidin-1-yl)-3,5-dicyano-4-ethyl-2-pyridinyl]amino]-2-phenylacetamide
PubChem CID162679618
Molecular FormulaC22H25N7O
Molecular Weight403.49 g/mol
Exact Mass403.21
IUPAC Name(2R)-2-[[6-(4-aminopiperidin-1-yl)-3,5-dicyano-4-ethyl-2-pyridinyl]amino]-2-phenylacetamide
SMILESCCc1c(C#N)c(N[C@@H](C(N)=O)c2ccccc2)nc(N2CCC(N)CC2)c1C#N
InChIInChI=1S/C22H25N7O/c1-2-16-17(12-23)21(27-19(20(26)30)14-6-4-3-5-7-14)28-22(18(16)13-24)29-10-8-15(25)9-11-29/h3-7,15,19H,2,8-11,25H2,1H3,(H2,26,30)(H,27,28)/t19-/m1/s1
InChIKeyKTLVWLAGCPGLOU-LJQANCHMSA-N
XLogP1.95
TPSA144.85 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.49
LogP ≤ 51.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[6-(4-aminopiperidin-1-yl)-3,5-dicyano-4-ethyl-2-pyridinyl]amino]-2-phenylacetamide?
The IUPAC name of (2R)-2-[[6-(4-aminopiperidin-1-yl)-3,5-dicyano-4-ethyl-2-pyridinyl]amino]-2-phenylacetamide (CID 162679618) is (2R)-2-[[6-(4-aminopiperidin-1-yl)-3,5-dicyano-4-ethyl-2-pyridinyl]amino]-2-phenylacetamide.
What is the SMILES notation for (2R)-2-[[6-(4-aminopiperidin-1-yl)-3,5-dicyano-4-ethyl-2-pyridinyl]amino]-2-phenylacetamide?
The canonical SMILES for (2R)-2-[[6-(4-aminopiperidin-1-yl)-3,5-dicyano-4-ethyl-2-pyridinyl]amino]-2-phenylacetamide is CCc1c(C#N)c(N[C@@H](C(N)=O)c2ccccc2)nc(N2CCC(N)CC2)c1C#N.
What is the InChIKey of (2R)-2-[[6-(4-aminopiperidin-1-yl)-3,5-dicyano-4-ethyl-2-pyridinyl]amino]-2-phenylacetamide?
The InChIKey is KTLVWLAGCPGLOU-LJQANCHMSA-N. The full InChI is InChI=1S/C22H25N7O/c1-2-16-17(12-23)21(27-19(20(26)30)14-6-4-3-5-7-14)28-22(18(16)13-24)29-10-8-15(25)9-11-29/h3-7,15,19H,2,8-11,25H2,1H3,(H2,26,30)(H,27,28)/t19-/m1/s1.
What are the key properties of (2R)-2-[[6-(4-aminopiperidin-1-yl)-3,5-dicyano-4-ethyl-2-pyridinyl]amino]-2-phenylacetamide?
(2R)-2-[[6-(4-aminopiperidin-1-yl)-3,5-dicyano-4-ethyl-2-pyridinyl]amino]-2-phenylacetamide has a molecular weight of 403.49 g/mol, XLogP of 1.95, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[6-(4-aminopiperidin-1-yl)-3,5-dicyano-4-ethyl-2-pyridinyl]amino]-2-phenylacetamide is sourced from PubChem (CID 162679618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).