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

C22H32N8O3 — CID 151766087

IUPAC2-[(3S)-3-aminopiperidin-1-yl]-4-[(5-morpholin-4-yl-6-oxo-1-propan-2-yl-3-pyridinyl)amino]pyrimidine-5-carboxamide
SMILESCC(C)n1cc(Nc2nc(N3CCC[C@H](N)C3)ncc2C(N)=O)cc(N2CCOCC2)c1=O
InChIInChI=1S/C22H32N8O3/c1-14(2)30-13-16(10-18(21(30)32)28-6-8-33-9-7-28)26-20-17(19(24)31)11-25-22(27-20)29-5-3-4-15(23)12-29/h10-11,13-15H,3-9,12,23H2,1-2H3,(H2,24,31)(H,25,26,27)/t15-/m0/s1
InChIKeyRRPLWKOJPAOCAI-HNNXBMFYSA-N
MW456.55 g/mol
LogP0.83
Rot. Bonds6

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

2-[(3S)-3-aminopiperidin-1-yl]-4-[(5-morpholin-4-yl-6-oxo-1-propan-2-yl-3-pyridinyl)amino]pyrimidine-5-carboxamide (PubChem CID 151766087) has the molecular formula C22H32N8O3 and a molecular weight of 456.55 g/mol. Its IUPAC name is 2-[(3S)-3-aminopiperidin-1-yl]-4-[(5-morpholin-4-yl-6-oxo-1-propan-2-yl-3-pyridinyl)amino]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-[(3S)-3-aminopiperidin-1-yl]-4-[(5-morpholin-4-yl-6-oxo-1-propan-2-yl-3-pyridinyl)amino]pyrimidine-5-carboxamide
PubChem CID151766087
Molecular FormulaC22H32N8O3
Molecular Weight456.55 g/mol
Exact Mass456.26
IUPAC Name2-[(3S)-3-aminopiperidin-1-yl]-4-[(5-morpholin-4-yl-6-oxo-1-propan-2-yl-3-pyridinyl)amino]pyrimidine-5-carboxamide
SMILESCC(C)n1cc(Nc2nc(N3CCC[C@H](N)C3)ncc2C(N)=O)cc(N2CCOCC2)c1=O
InChIInChI=1S/C22H32N8O3/c1-14(2)30-13-16(10-18(21(30)32)28-6-8-33-9-7-28)26-20-17(19(24)31)11-25-22(27-20)29-5-3-4-15(23)12-29/h10-11,13-15H,3-9,12,23H2,1-2H3,(H2,24,31)(H,25,26,27)/t15-/m0/s1
InChIKeyRRPLWKOJPAOCAI-HNNXBMFYSA-N
XLogP0.83
TPSA144.63 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.55
LogP ≤ 50.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

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

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Related Compounds

2-~{tert}-Butyl-4-(3-Methoxypropylamino)-~{n}-(2-Methylpropyl)-~{n}-[(3~{s},5~{r})-5-Morpholin-4-Ylcarbonylpiperidin-3-Yl]pyrimidine-5-Carboxamide
CID 25242438
2-tert-butyl-N-(2-methylpropyl)-N-[(3S,5R)-5-(morpholine-4-carbonyl)piperidin-3-yl]-4-(pentylamino)pyrimidine-5-carboxamide
CID 59625541
2,4-bis(butylamino)-N-(3-morpholin-4-ylpropyl)pyrimidine-5-carboxamide
CID 72548581
US11530193, Example 76
CID 150726878
US11530193, Example 84
CID 151354988
1-[(3R)-3-[[5-fluoro-2-[[(3E,5E)-5-(2-morpholin-4-ylethylamino)hepta-1,3,5-trien-3-yl]amino]pyrimidin-4-yl]amino]piperidin-1-yl]prop-2-en-1-one
CID 158714297
4-[1-[3-[2-oxo-4-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]piperazin-1-yl]propoxy]propan-2-ylamino]-5-(trifluoromethyl)-1H-pyridazin-6-one
CID 177936813
N-[3-(3,5-Dimethylpiperidin-1-YL)propyl]-2-(morpholin-4-YL)pyrimidine-5-carboxamide
CID 16673476
2-morpholin-4-yl-N-(2-morpholin-4-ylethyl)pyrimidine-5-carboxamide
CID 20959446
N-[3-(4-methylpiperidino)propyl]-2-morpholino-5-pyrimidinecarboxamide
CID 20959461
2-(morpholin-4-yl)-N-[3-(piperidin-1-yl)propyl]pyrimidine-5-carboxamide
CID 20959462
N-[3-(4-ethylpiperazin-1-yl)propyl]-2-(morpholin-4-yl)pyrimidine-5-carboxamide
CID 20959465

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-3-aminopiperidin-1-yl]-4-[(5-morpholin-4-yl-6-oxo-1-propan-2-yl-3-pyridinyl)amino]pyrimidine-5-carboxamide?
The IUPAC name of 2-[(3S)-3-aminopiperidin-1-yl]-4-[(5-morpholin-4-yl-6-oxo-1-propan-2-yl-3-pyridinyl)amino]pyrimidine-5-carboxamide (CID 151766087) is 2-[(3S)-3-aminopiperidin-1-yl]-4-[(5-morpholin-4-yl-6-oxo-1-propan-2-yl-3-pyridinyl)amino]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-[(3S)-3-aminopiperidin-1-yl]-4-[(5-morpholin-4-yl-6-oxo-1-propan-2-yl-3-pyridinyl)amino]pyrimidine-5-carboxamide?
The canonical SMILES for 2-[(3S)-3-aminopiperidin-1-yl]-4-[(5-morpholin-4-yl-6-oxo-1-propan-2-yl-3-pyridinyl)amino]pyrimidine-5-carboxamide is CC(C)n1cc(Nc2nc(N3CCC[C@H](N)C3)ncc2C(N)=O)cc(N2CCOCC2)c1=O.
What is the InChIKey of 2-[(3S)-3-aminopiperidin-1-yl]-4-[(5-morpholin-4-yl-6-oxo-1-propan-2-yl-3-pyridinyl)amino]pyrimidine-5-carboxamide?
The InChIKey is RRPLWKOJPAOCAI-HNNXBMFYSA-N. The full InChI is InChI=1S/C22H32N8O3/c1-14(2)30-13-16(10-18(21(30)32)28-6-8-33-9-7-28)26-20-17(19(24)31)11-25-22(27-20)29-5-3-4-15(23)12-29/h10-11,13-15H,3-9,12,23H2,1-2H3,(H2,24,31)(H,25,26,27)/t15-/m0/s1.
What are the key properties of 2-[(3S)-3-aminopiperidin-1-yl]-4-[(5-morpholin-4-yl-6-oxo-1-propan-2-yl-3-pyridinyl)amino]pyrimidine-5-carboxamide?
2-[(3S)-3-aminopiperidin-1-yl]-4-[(5-morpholin-4-yl-6-oxo-1-propan-2-yl-3-pyridinyl)amino]pyrimidine-5-carboxamide has a molecular weight of 456.55 g/mol, XLogP of 0.83, 6 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-3-aminopiperidin-1-yl]-4-[(5-morpholin-4-yl-6-oxo-1-propan-2-yl-3-pyridinyl)amino]pyrimidine-5-carboxamide is sourced from PubChem (CID 151766087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).