1-[7-(6-amino-3-pyridinyl)-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-2-yl]-N-methylpiperidine-4-carboxamide

C24H30N8O2 — CID 59703443

IUPAC1-[7-(6-amino-3-pyridinyl)-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-2-yl]-N-methylpiperidine-4-carboxamide
SMILESCNC(=O)C1CCN(c2nc(N3CCOC[C@@H]3C)c3ccc(-c4ccc(N)nc4)nc3n2)CC1
InChIInChI=1S/C24H30N8O2/c1-15-14-34-12-11-32(15)22-18-4-5-19(17-3-6-20(25)27-13-17)28-21(18)29-24(30-22)31-9-7-16(8-10-31)23(33)26-2/h3-6,13,15-16H,7-12,14H2,1-2H3,(H2,25,27)(H,26,33)/t15-/m0/s1
InChIKeyPJXXTBMORNNMSM-HNNXBMFYSA-N
MW462.56 g/mol
LogP1.86
Rot. Bonds4

About 1-[7-(6-amino-3-pyridinyl)-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-2-yl]-N-methylpiperidine-4-carboxamide

1-[7-(6-amino-3-pyridinyl)-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-2-yl]-N-methylpiperidine-4-carboxamide (PubChem CID 59703443) has the molecular formula C24H30N8O2 and a molecular weight of 462.56 g/mol. Its IUPAC name is 1-[7-(6-amino-3-pyridinyl)-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-2-yl]-N-methylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[7-(6-amino-3-pyridinyl)-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-2-yl]-N-methylpiperidine-4-carboxamide
PubChem CID59703443
Molecular FormulaC24H30N8O2
Molecular Weight462.56 g/mol
Exact Mass462.25
IUPAC Name1-[7-(6-amino-3-pyridinyl)-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-2-yl]-N-methylpiperidine-4-carboxamide
SMILESCNC(=O)C1CCN(c2nc(N3CCOC[C@@H]3C)c3ccc(-c4ccc(N)nc4)nc3n2)CC1
InChIInChI=1S/C24H30N8O2/c1-15-14-34-12-11-32(15)22-18-4-5-19(17-3-6-20(25)27-13-17)28-21(18)29-24(30-22)31-9-7-16(8-10-31)23(33)26-2/h3-6,13,15-16H,7-12,14H2,1-2H3,(H2,25,27)(H,26,33)/t15-/m0/s1
InChIKeyPJXXTBMORNNMSM-HNNXBMFYSA-N
XLogP1.86
TPSA122.39 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.56
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 1-[7-(6-amino-3-pyridinyl)-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-2-yl]-N-methylpiperidine-4-carboxamide with MolForge

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Related Compounds

Vistusertib
CID 25262792
1-({4-[2-(methylsulfanyl)-6-phenylpyrido[2,3-d]pyrimidin-7-yl]phenyl}methyl)-N-(pyridin-4-yl)piperidine-4-carboxamide
CID 11592032
5-[1-(2-Bromo-phenyl)-ethyl]-7-(6-morpholin-4-yl-pyridin-3-yl)-pyrido[2,3-d]pyrimidin-4-ylamine
CID 10435708
1-(4-(4,6-bis((R)-3-methylmorpholino)-1,3,5-triazin-2-yl)phenyl)-3-(pyridin-4-yl)urea
CID 46884583
1-[3-(2-Cyclohexylaminopyridin-4-yl)[2,6]naphthyridin-1-yl]piperidine-4-carboxylic Acid(2-Pyrrolidin-1-ylethyl)amide
CID 46900235
1-{3-[2-(Tetrahydropyran-4-ylamino)pyridin-4-yl][2,6]naphthyridin-1-yl}piperidine-4-carboxylic Acid(2-Pyrrolidin-1-ylethyl)-amide
CID 46900891
N-(2-(pyrrolidin-1-yl)ethyl)-1-(3-(2-(tetrahydro-2H-pyran-4-ylamino)pyridin-4-yl)-2,6-naphthyridin-1-yl)piperidine-4-carboxamide
CID 46901056
2-[[4-[5,6,7,8-Tetrahydro-4-[(3S)-3-methyl-4-morpholinyl]-7-(2-pyrimidinyl)pyrido[3,4-d]pyrimidin-2-yl]phenyl]amino]-4(3H)-pyrimidinone
CID 59239300
Pyrido[4,3-d]pyrimidine deriv. 4r
CID 5328328
5-(2,3-Dimethyl-cyclohexyl)-7-(6-morpholin-4-yl-pyridin-3-yl)-pyrido[2,3-d]pyrimidin-4-ylamine
CID 44381850
5-N-(1H-indol-3-ylmethyl)-7-(6-morpholin-4-yl-3-pyridinyl)pyrido[2,3-d]pyrimidine-4,5-diamine
CID 10253331
N-(6-(2-aminopyrimidin-5-yl)-2-morpholinopyrimidin-4-yl)quinolin-3-amine
CID 23630332

Frequently Asked Questions

What is the IUPAC name of 1-[7-(6-amino-3-pyridinyl)-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-2-yl]-N-methylpiperidine-4-carboxamide?
The IUPAC name of 1-[7-(6-amino-3-pyridinyl)-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-2-yl]-N-methylpiperidine-4-carboxamide (CID 59703443) is 1-[7-(6-amino-3-pyridinyl)-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-2-yl]-N-methylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[7-(6-amino-3-pyridinyl)-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-2-yl]-N-methylpiperidine-4-carboxamide?
The canonical SMILES for 1-[7-(6-amino-3-pyridinyl)-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-2-yl]-N-methylpiperidine-4-carboxamide is CNC(=O)C1CCN(c2nc(N3CCOC[C@@H]3C)c3ccc(-c4ccc(N)nc4)nc3n2)CC1.
What is the InChIKey of 1-[7-(6-amino-3-pyridinyl)-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-2-yl]-N-methylpiperidine-4-carboxamide?
The InChIKey is PJXXTBMORNNMSM-HNNXBMFYSA-N. The full InChI is InChI=1S/C24H30N8O2/c1-15-14-34-12-11-32(15)22-18-4-5-19(17-3-6-20(25)27-13-17)28-21(18)29-24(30-22)31-9-7-16(8-10-31)23(33)26-2/h3-6,13,15-16H,7-12,14H2,1-2H3,(H2,25,27)(H,26,33)/t15-/m0/s1.
What are the key properties of 1-[7-(6-amino-3-pyridinyl)-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-2-yl]-N-methylpiperidine-4-carboxamide?
1-[7-(6-amino-3-pyridinyl)-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-2-yl]-N-methylpiperidine-4-carboxamide has a molecular weight of 462.56 g/mol, XLogP of 1.86, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-(6-amino-3-pyridinyl)-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-2-yl]-N-methylpiperidine-4-carboxamide is sourced from PubChem (CID 59703443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).