2-[4-[3-(6-amino-3-pyridinyl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]pyrimidine-4-carbonitrile

C19H21N7O2 — CID 162376533

IUPAC2-[4-[3-(6-amino-3-pyridinyl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]pyrimidine-4-carbonitrile
SMILESN#Cc1ccnc(N2CCC(C(=O)N3OCCC3c3ccc(N)nc3)CC2)n1
InChIInChI=1S/C19H21N7O2/c20-11-15-3-7-22-19(24-15)25-8-4-13(5-9-25)18(27)26-16(6-10-28-26)14-1-2-17(21)23-12-14/h1-3,7,12-13,16H,4-6,8-10H2,(H2,21,23)
InChIKeyFIOSCIVGFCTVHR-UHFFFAOYSA-N
MW379.42 g/mol
LogP1.45
Rot. Bonds3

About 2-[4-[3-(6-amino-3-pyridinyl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]pyrimidine-4-carbonitrile

2-[4-[3-(6-amino-3-pyridinyl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]pyrimidine-4-carbonitrile (PubChem CID 162376533) has the molecular formula C19H21N7O2 and a molecular weight of 379.42 g/mol. Its IUPAC name is 2-[4-[3-(6-amino-3-pyridinyl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]pyrimidine-4-carbonitrile.

Molecular Properties

Compound Name2-[4-[3-(6-amino-3-pyridinyl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]pyrimidine-4-carbonitrile
PubChem CID162376533
Molecular FormulaC19H21N7O2
Molecular Weight379.42 g/mol
Exact Mass379.18
IUPAC Name2-[4-[3-(6-amino-3-pyridinyl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]pyrimidine-4-carbonitrile
SMILESN#Cc1ccnc(N2CCC(C(=O)N3OCCC3c3ccc(N)nc3)CC2)n1
InChIInChI=1S/C19H21N7O2/c20-11-15-3-7-22-19(24-15)25-8-4-13(5-9-25)18(27)26-16(6-10-28-26)14-1-2-17(21)23-12-14/h1-3,7,12-13,16H,4-6,8-10H2,(H2,21,23)
InChIKeyFIOSCIVGFCTVHR-UHFFFAOYSA-N
XLogP1.45
TPSA121.26 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-[4-[3-(6-amino-3-pyridinyl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]pyrimidine-4-carbonitrile with MolForge

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Related Compounds

5-[(3S)-2-[1-(4-formylpyrimidin-2-yl)piperidine-4-carbonyl]-1,2-oxazolidin-3-yl]pyridine-3-carbonitrile
CID 170001085
2-methyl-5-[(3S)-2-(1-pyrimidin-2-ylpiperidine-4-carbonyl)-1,2-oxazolidin-3-yl]pyridine-3-carbonitrile
CID 169090117
3-fluoro-5-[2-[1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)pyrimidin-2-yl]piperidine-4-carbonyl]-1,2-oxazolidin-3-yl]benzonitrile
CID 170776244
ethyl 3-[[2-[4-[(3S)-3-(5-cyano-3-pyridinyl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]pyrimidine-4-carbonyl]amino]azetidine-1-carboxylate
CID 162376600
2-[4-[(3S)-3-(5-cyano-3-pyridinyl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]-5-fluoropyrimidine-4-carboxamide
CID 162376527
[(3S)-3-(5-fluoro-6-methyl-3-pyridinyl)-1,2-oxazolidin-2-yl]-[1-[4-(oxetan-3-yl)pyrimidin-2-yl]piperidin-4-yl]methanone
CID 172581423
3,3-difluoro-1-[2-[4-[(3S)-3-(5-fluoro-3-pyridinyl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]pyrimidin-4-yl]pyrrolidin-2-one
CID 172581494
2-[4-[(3S)-3-(5-cyano-3-pyridinyl)-1,2-oxazolidine-2-carbonyl]-2,3,5-trifluoropiperidin-1-yl]pyrimidine-4-carbonitrile
CID 175447817
1-(4-ethynylpyrimidin-2-yl)piperidine-4-carboxylic acid
CID 170002296
2-[(3S,4S)-4-[(3S)-3-(5-cyano-3-pyridinyl)-1,2-oxazolidine-2-carbonyl]-3-fluoropiperidin-1-yl]pyrimidine-4-carboxamide
CID 162376243
5-[(3S)-2-[1-(6-oxo-1H-pyrimidin-2-yl)piperidine-4-carbonyl]-1,2-oxazolidin-3-yl]pyridine-3-carbonitrile
CID 162376315
1-(4-cyanopyrimidin-2-yl)azetidine-3-carboxylic acid
CID 107542992

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(6-amino-3-pyridinyl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]pyrimidine-4-carbonitrile?
The IUPAC name of 2-[4-[3-(6-amino-3-pyridinyl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]pyrimidine-4-carbonitrile (CID 162376533) is 2-[4-[3-(6-amino-3-pyridinyl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]pyrimidine-4-carbonitrile.
What is the SMILES notation for 2-[4-[3-(6-amino-3-pyridinyl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]pyrimidine-4-carbonitrile?
The canonical SMILES for 2-[4-[3-(6-amino-3-pyridinyl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]pyrimidine-4-carbonitrile is N#Cc1ccnc(N2CCC(C(=O)N3OCCC3c3ccc(N)nc3)CC2)n1.
What is the InChIKey of 2-[4-[3-(6-amino-3-pyridinyl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]pyrimidine-4-carbonitrile?
The InChIKey is FIOSCIVGFCTVHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N7O2/c20-11-15-3-7-22-19(24-15)25-8-4-13(5-9-25)18(27)26-16(6-10-28-26)14-1-2-17(21)23-12-14/h1-3,7,12-13,16H,4-6,8-10H2,(H2,21,23).
What are the key properties of 2-[4-[3-(6-amino-3-pyridinyl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]pyrimidine-4-carbonitrile?
2-[4-[3-(6-amino-3-pyridinyl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]pyrimidine-4-carbonitrile has a molecular weight of 379.42 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(6-amino-3-pyridinyl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]pyrimidine-4-carbonitrile is sourced from PubChem (CID 162376533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).