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

C21H31N7O2 — CID 150726878

IUPAC2-[(3S)-3-aminopiperidin-1-yl]-4-[[6-oxo-1,5-di(propan-2-yl)-3-pyridinyl]amino]pyrimidine-5-carboxamide
SMILESCC(C)c1cc(Nc2nc(N3CCC[C@H](N)C3)ncc2C(N)=O)cn(C(C)C)c1=O
InChIInChI=1S/C21H31N7O2/c1-12(2)16-8-15(11-28(13(3)4)20(16)30)25-19-17(18(23)29)9-24-21(26-19)27-7-5-6-14(22)10-27/h8-9,11-14H,5-7,10,22H2,1-4H3,(H2,23,29)(H,24,25,26)/t14-/m0/s1
InChIKeyJQZYKZFXFAGFDE-AWEZNQCLSA-N
MW413.53 g/mol
LogP2.11
Rot. Bonds6

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

2-[(3S)-3-aminopiperidin-1-yl]-4-[[6-oxo-1,5-di(propan-2-yl)-3-pyridinyl]amino]pyrimidine-5-carboxamide (PubChem CID 150726878) has the molecular formula C21H31N7O2 and a molecular weight of 413.53 g/mol. Its IUPAC name is 2-[(3S)-3-aminopiperidin-1-yl]-4-[[6-oxo-1,5-di(propan-2-yl)-3-pyridinyl]amino]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-[(3S)-3-aminopiperidin-1-yl]-4-[[6-oxo-1,5-di(propan-2-yl)-3-pyridinyl]amino]pyrimidine-5-carboxamide
PubChem CID150726878
Molecular FormulaC21H31N7O2
Molecular Weight413.53 g/mol
Exact Mass413.25
IUPAC Name2-[(3S)-3-aminopiperidin-1-yl]-4-[[6-oxo-1,5-di(propan-2-yl)-3-pyridinyl]amino]pyrimidine-5-carboxamide
SMILESCC(C)c1cc(Nc2nc(N3CCC[C@H](N)C3)ncc2C(N)=O)cn(C(C)C)c1=O
InChIInChI=1S/C21H31N7O2/c1-12(2)16-8-15(11-28(13(3)4)20(16)30)25-19-17(18(23)29)9-24-21(26-19)27-7-5-6-14(22)10-27/h8-9,11-14H,5-7,10,22H2,1-4H3,(H2,23,29)(H,24,25,26)/t14-/m0/s1
InChIKeyJQZYKZFXFAGFDE-AWEZNQCLSA-N
XLogP2.11
TPSA132.16 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.53
LogP ≤ 52.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 2-[(3S)-3-aminopiperidin-1-yl]-4-[[6-oxo-1,5-di(propan-2-yl)-3-pyridinyl]amino]pyrimidine-5-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

2-[[1-(2-Methylpropanoyl)piperidin-4-yl]amino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one
CID 118146819
N-ethyl-4-[(7-oxo-8-propan-2-ylpyrido[2,3-d]pyrimidin-2-yl)amino]piperidine-1-carboxamide
CID 118146871
4-[(7-oxo-8-propan-2-ylpyrido[2,3-d]pyrimidin-2-yl)amino]-N-propan-2-ylpiperidine-1-carboxamide
CID 118146872
2-[3-(2-methylpiperidin-1-yl)propylamino]-N-(2-methylpropyl)-4-(2-methylpropylamino)pyrimidine-5-carboxamide
CID 45489239
(6S)-8-(2,3-dimethyl-4-oxopyrido[1,2-a]pyrimidin-9-yl)-13-(ethylamino)-2,8,12,14-tetrazatricyclo[8.4.0.02,6]tetradeca-1(14),10,12-trien-9-one
CID 71468824
(S)-6-(2,3-Dimethyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-9-yl)-2-methylamino-6,7,7a,8,9,10-hexahydro-5H-pyrimido[5,4-f]pyrrolo[1,2-a][1,4]diazepin-5-one
CID 71468825
(6S)-13-(ethylamino)-8-(2-methyl-4-oxopyrido[1,2-a]pyrimidin-9-yl)-2,8,12,14-tetrazatricyclo[8.4.0.02,6]tetradeca-1(14),10,12-trien-9-one
CID 90003940
US11530193, Example 83
CID 150471776
US11530193, Example 80
CID 150770085
2-(Piperidin-4-ylamino)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one
CID 122178090
2-[(1-Methylpiperidin-4-yl)amino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one
CID 122178089
US9579320, Example 152
CID 137528687

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-3-aminopiperidin-1-yl]-4-[[6-oxo-1,5-di(propan-2-yl)-3-pyridinyl]amino]pyrimidine-5-carboxamide?
The IUPAC name of 2-[(3S)-3-aminopiperidin-1-yl]-4-[[6-oxo-1,5-di(propan-2-yl)-3-pyridinyl]amino]pyrimidine-5-carboxamide (CID 150726878) is 2-[(3S)-3-aminopiperidin-1-yl]-4-[[6-oxo-1,5-di(propan-2-yl)-3-pyridinyl]amino]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-[(3S)-3-aminopiperidin-1-yl]-4-[[6-oxo-1,5-di(propan-2-yl)-3-pyridinyl]amino]pyrimidine-5-carboxamide?
The canonical SMILES for 2-[(3S)-3-aminopiperidin-1-yl]-4-[[6-oxo-1,5-di(propan-2-yl)-3-pyridinyl]amino]pyrimidine-5-carboxamide is CC(C)c1cc(Nc2nc(N3CCC[C@H](N)C3)ncc2C(N)=O)cn(C(C)C)c1=O.
What is the InChIKey of 2-[(3S)-3-aminopiperidin-1-yl]-4-[[6-oxo-1,5-di(propan-2-yl)-3-pyridinyl]amino]pyrimidine-5-carboxamide?
The InChIKey is JQZYKZFXFAGFDE-AWEZNQCLSA-N. The full InChI is InChI=1S/C21H31N7O2/c1-12(2)16-8-15(11-28(13(3)4)20(16)30)25-19-17(18(23)29)9-24-21(26-19)27-7-5-6-14(22)10-27/h8-9,11-14H,5-7,10,22H2,1-4H3,(H2,23,29)(H,24,25,26)/t14-/m0/s1.
What are the key properties of 2-[(3S)-3-aminopiperidin-1-yl]-4-[[6-oxo-1,5-di(propan-2-yl)-3-pyridinyl]amino]pyrimidine-5-carboxamide?
2-[(3S)-3-aminopiperidin-1-yl]-4-[[6-oxo-1,5-di(propan-2-yl)-3-pyridinyl]amino]pyrimidine-5-carboxamide has a molecular weight of 413.53 g/mol, XLogP of 2.11, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-3-aminopiperidin-1-yl]-4-[[6-oxo-1,5-di(propan-2-yl)-3-pyridinyl]amino]pyrimidine-5-carboxamide is sourced from PubChem (CID 150726878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).