N-[5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-pyridinyl]acetamide

C24H29N7O3 — CID 57442013

IUPACN-[5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1ccc(-c2ccc3c(N4CCOC[C@@H]4C)nc(N4CCOC[C@@H]4C)nc3n2)cn1
InChIInChI=1S/C24H29N7O3/c1-15-13-33-10-8-30(15)23-19-5-6-20(18-4-7-21(25-12-18)26-17(3)32)27-22(19)28-24(29-23)31-9-11-34-14-16(31)2/h4-7,12,15-16H,8-11,13-14H2,1-3H3,(H,25,26,32)/t15-,16-/m0/s1
InChIKeyJDUHIYBYFCPJPA-HOTGVXAUSA-N
MW463.54 g/mol
LogP2.50
Rot. Bonds4

About N-[5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-pyridinyl]acetamide

N-[5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-pyridinyl]acetamide (PubChem CID 57442013) has the molecular formula C24H29N7O3 and a molecular weight of 463.54 g/mol. Its IUPAC name is N-[5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-pyridinyl]acetamide
PubChem CID57442013
Molecular FormulaC24H29N7O3
Molecular Weight463.54 g/mol
Exact Mass463.23
IUPAC NameN-[5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1ccc(-c2ccc3c(N4CCOC[C@@H]4C)nc(N4CCOC[C@@H]4C)nc3n2)cn1
InChIInChI=1S/C24H29N7O3/c1-15-13-33-10-8-30(15)23-19-5-6-20(18-4-7-21(25-12-18)26-17(3)32)27-22(19)28-24(29-23)31-9-11-34-14-16(31)2/h4-7,12,15-16H,8-11,13-14H2,1-3H3,(H,25,26,32)/t15-,16-/m0/s1
InChIKeyJDUHIYBYFCPJPA-HOTGVXAUSA-N
XLogP2.50
TPSA105.60 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.54
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N-[5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-pyridinyl]acetamide with MolForge

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Related Compounds

Abt-702
CID 1973
5-(2-Bromo-benzyl)-7-(6-morpholin-4-yl-pyridin-3-yl)-pyrido[2,3-d]pyrimidin-4-ylamine
CID 10005239
5-[1-(2-Bromo-phenyl)-ethyl]-7-(6-morpholin-4-yl-pyridin-3-yl)-pyrido[2,3-d]pyrimidin-4-ylamine
CID 10435708
2-(((2S,6R)-2,6-dimethylmorpholino)methyl)-7-(3-(trifluoromethyl)pyridin-2-yl)-N-(5-(trifluoromethyl)pyridin-2-yl)quinazolin-4-amine
CID 44587857
1-(4-(4,6-bis((R)-3-methylmorpholino)-1,3,5-triazin-2-yl)phenyl)-3-(pyridin-4-yl)urea
CID 46884583
4-(1-Piperazin-1-yl[2,6]naphthyridin-3-yl)pyridin-2-yl](tetrahydropyran-4-yl)amine
CID 46899901
{4-[1-(4-Isobutylpiperazin-1-yl)[2,6]naphthyridin-3-yl]pyridin-2-yl}(tetrahydropyran-4-yl)amine
CID 46899902
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
3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-(3-morpholin-4-ylisoquinolin-1-yl)pyrazine-2-carboxamide
CID 118873278
N-(8-amino-6-(4-methylpyridin-3-yl)-2,7-naphthyridin-3-yl)cyclopropanecarboxamide
CID 135345433
Pyrido[4,3-d]pyrimidine deriv. 4r
CID 5328328

Frequently Asked Questions

What is the IUPAC name of N-[5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-pyridinyl]acetamide?
The IUPAC name of N-[5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-pyridinyl]acetamide (CID 57442013) is N-[5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-pyridinyl]acetamide.
What is the SMILES notation for N-[5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-pyridinyl]acetamide?
The canonical SMILES for N-[5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-pyridinyl]acetamide is CC(=O)Nc1ccc(-c2ccc3c(N4CCOC[C@@H]4C)nc(N4CCOC[C@@H]4C)nc3n2)cn1.
What is the InChIKey of N-[5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-pyridinyl]acetamide?
The InChIKey is JDUHIYBYFCPJPA-HOTGVXAUSA-N. The full InChI is InChI=1S/C24H29N7O3/c1-15-13-33-10-8-30(15)23-19-5-6-20(18-4-7-21(25-12-18)26-17(3)32)27-22(19)28-24(29-23)31-9-11-34-14-16(31)2/h4-7,12,15-16H,8-11,13-14H2,1-3H3,(H,25,26,32)/t15-,16-/m0/s1.
What are the key properties of N-[5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-pyridinyl]acetamide?
N-[5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-pyridinyl]acetamide has a molecular weight of 463.54 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-pyridinyl]acetamide is sourced from PubChem (CID 57442013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).