2-(3-aminopiperidin-1-yl)-4-[[2-(1,1-dioxothian-4-yl)-6-propan-2-yl-4-pyridinyl]amino]pyrimidine-5-carboxamide

C23H33N7O3S — CID 175075145

IUPAC2-(3-aminopiperidin-1-yl)-4-[[2-(1,1-dioxothian-4-yl)-6-propan-2-yl-4-pyridinyl]amino]pyrimidine-5-carboxamide
SMILESCC(C)c1cc(Nc2nc(N3CCCC(N)C3)ncc2C(N)=O)cc(C2CCS(=O)(=O)CC2)n1
InChIInChI=1S/C23H33N7O3S/c1-14(2)19-10-17(11-20(28-19)15-5-8-34(32,33)9-6-15)27-22-18(21(25)31)12-26-23(29-22)30-7-3-4-16(24)13-30/h10-12,14-16H,3-9,13,24H2,1-2H3,(H2,25,31)(H,26,27,28,29)
InChIKeyZAJLJYNIBIXIHU-UHFFFAOYSA-N
MW487.63 g/mol
LogP2.06
Rot. Bonds6

About 2-(3-aminopiperidin-1-yl)-4-[[2-(1,1-dioxothian-4-yl)-6-propan-2-yl-4-pyridinyl]amino]pyrimidine-5-carboxamide

2-(3-aminopiperidin-1-yl)-4-[[2-(1,1-dioxothian-4-yl)-6-propan-2-yl-4-pyridinyl]amino]pyrimidine-5-carboxamide (PubChem CID 175075145) has the molecular formula C23H33N7O3S and a molecular weight of 487.63 g/mol. Its IUPAC name is 2-(3-aminopiperidin-1-yl)-4-[[2-(1,1-dioxothian-4-yl)-6-propan-2-yl-4-pyridinyl]amino]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(3-aminopiperidin-1-yl)-4-[[2-(1,1-dioxothian-4-yl)-6-propan-2-yl-4-pyridinyl]amino]pyrimidine-5-carboxamide
PubChem CID175075145
Molecular FormulaC23H33N7O3S
Molecular Weight487.63 g/mol
Exact Mass487.24
IUPAC Name2-(3-aminopiperidin-1-yl)-4-[[2-(1,1-dioxothian-4-yl)-6-propan-2-yl-4-pyridinyl]amino]pyrimidine-5-carboxamide
SMILESCC(C)c1cc(Nc2nc(N3CCCC(N)C3)ncc2C(N)=O)cc(C2CCS(=O)(=O)CC2)n1
InChIInChI=1S/C23H33N7O3S/c1-14(2)19-10-17(11-20(28-19)15-5-8-34(32,33)9-6-15)27-22-18(21(25)31)12-26-23(29-22)30-7-3-4-16(24)13-30/h10-12,14-16H,3-9,13,24H2,1-2H3,(H2,25,31)(H,26,27,28,29)
InChIKeyZAJLJYNIBIXIHU-UHFFFAOYSA-N
XLogP2.06
TPSA157.19 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.63
LogP ≤ 52.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Related Compounds

2-[(3S)-3-aminopiperidin-1-yl]-4-[[2-(1,1-dioxothian-4-yl)-6-propan-2-yl-4-pyridinyl]amino]pyrimidine-5-carboxamide
CID 152615306
2-[(3S)-3-aminopiperidin-1-yl]-4-[[2-propan-2-yl-6-[4-(trifluoromethyl)phenyl]-4-pyridinyl]amino]pyrimidine-5-carboxamide
CID 155682203
2-[(3S)-3-aminopiperidin-1-yl]-4-(3,5-dicyclopropylanilino)pyrimidine-5-carboxamide
CID 150859577
[1-[5-carbamoyl-4-[[2,6-di(propan-2-yl)-4-pyridinyl]amino]pyrimidin-2-yl]piperidin-3-yl] carbamate
CID 175078836
2-[(3S)-3-aminopiperidin-1-yl]-4-[(2-oxo-7-propan-2-ylspiro[1H-indole-3,1'-cyclohexane]-5-yl)amino]pyrimidine-5-carboxamide
CID 150749193
2-[(3S)-3-aminopiperidin-1-yl]-4-[3-tert-butyl-5-(1-hydroxypropyl)anilino]pyrimidine-5-carboxamide
CID 155682210
tert-butyl N-[(3S)-1-[5-carbamoyl-4-[(2-piperidin-1-yl-6-propan-2-yl-4-pyridinyl)amino]pyrimidin-2-yl]piperidin-3-yl]carbamate
CID 155682294
2-[(3S)-3-aminopiperidin-1-yl]-4-[3-(methylsulfamoyl)-5-(trifluoromethyl)anilino]pyrimidine-5-carboxamide
CID 160692564
2-[(3S)-3-aminopiperidin-1-yl]-4-[3-pyrrolidin-1-ylsulfonyl-5-(trifluoromethyl)anilino]pyrimidine-5-carboxamide
CID 155682263
2-[(3S)-3-aminopiperidin-1-yl]-4-[3-[(3S,5R)-3,5-dimethylmorpholine-4-carbonyl]anilino]pyrimidine-5-carboxamide;hydrochloride
CID 155682141
2-[(3S)-3-aminopiperidin-1-yl]-4-[3-(morpholine-4-carbonyl)-5-phenylanilino]pyrimidine-5-carboxamide
CID 150126446
[(3S)-1-[5-carbamoyl-4-[3-(oxan-4-yl)-5-propan-2-ylanilino]pyrimidin-2-yl]piperidin-3-yl] carbamate
CID 175081643

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopiperidin-1-yl)-4-[[2-(1,1-dioxothian-4-yl)-6-propan-2-yl-4-pyridinyl]amino]pyrimidine-5-carboxamide?
The IUPAC name of 2-(3-aminopiperidin-1-yl)-4-[[2-(1,1-dioxothian-4-yl)-6-propan-2-yl-4-pyridinyl]amino]pyrimidine-5-carboxamide (CID 175075145) is 2-(3-aminopiperidin-1-yl)-4-[[2-(1,1-dioxothian-4-yl)-6-propan-2-yl-4-pyridinyl]amino]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(3-aminopiperidin-1-yl)-4-[[2-(1,1-dioxothian-4-yl)-6-propan-2-yl-4-pyridinyl]amino]pyrimidine-5-carboxamide?
The canonical SMILES for 2-(3-aminopiperidin-1-yl)-4-[[2-(1,1-dioxothian-4-yl)-6-propan-2-yl-4-pyridinyl]amino]pyrimidine-5-carboxamide is CC(C)c1cc(Nc2nc(N3CCCC(N)C3)ncc2C(N)=O)cc(C2CCS(=O)(=O)CC2)n1.
What is the InChIKey of 2-(3-aminopiperidin-1-yl)-4-[[2-(1,1-dioxothian-4-yl)-6-propan-2-yl-4-pyridinyl]amino]pyrimidine-5-carboxamide?
The InChIKey is ZAJLJYNIBIXIHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N7O3S/c1-14(2)19-10-17(11-20(28-19)15-5-8-34(32,33)9-6-15)27-22-18(21(25)31)12-26-23(29-22)30-7-3-4-16(24)13-30/h10-12,14-16H,3-9,13,24H2,1-2H3,(H2,25,31)(H,26,27,28,29).
What are the key properties of 2-(3-aminopiperidin-1-yl)-4-[[2-(1,1-dioxothian-4-yl)-6-propan-2-yl-4-pyridinyl]amino]pyrimidine-5-carboxamide?
2-(3-aminopiperidin-1-yl)-4-[[2-(1,1-dioxothian-4-yl)-6-propan-2-yl-4-pyridinyl]amino]pyrimidine-5-carboxamide has a molecular weight of 487.63 g/mol, XLogP of 2.06, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminopiperidin-1-yl)-4-[[2-(1,1-dioxothian-4-yl)-6-propan-2-yl-4-pyridinyl]amino]pyrimidine-5-carboxamide is sourced from PubChem (CID 175075145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).