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

C24H29N7O3 — CID 66673423

IUPACN-[4-[2,4-bis(3-methylmorpholin-4-yl)pyrido[2,3-d]pyrimidin-7-yl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(-c2ccc3c(N4CCOCC4C)nc(N4CCOCC4C)nc3n2)ccn1
InChIInChI=1S/C24H29N7O3/c1-15-13-33-10-8-30(15)23-19-4-5-20(18-6-7-25-21(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)
InChIKeyJJFBIDHAKCJKJS-UHFFFAOYSA-N
MW463.54 g/mol
LogP2.50
Rot. Bonds4

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

N-[4-[2,4-bis(3-methylmorpholin-4-yl)pyrido[2,3-d]pyrimidin-7-yl]-2-pyridinyl]acetamide (PubChem CID 66673423) has the molecular formula C24H29N7O3 and a molecular weight of 463.54 g/mol. Its IUPAC name is N-[4-[2,4-bis(3-methylmorpholin-4-yl)pyrido[2,3-d]pyrimidin-7-yl]-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[4-[2,4-bis(3-methylmorpholin-4-yl)pyrido[2,3-d]pyrimidin-7-yl]-2-pyridinyl]acetamide
PubChem CID66673423
Molecular FormulaC24H29N7O3
Molecular Weight463.54 g/mol
Exact Mass463.23
IUPAC NameN-[4-[2,4-bis(3-methylmorpholin-4-yl)pyrido[2,3-d]pyrimidin-7-yl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(-c2ccc3c(N4CCOCC4C)nc(N4CCOCC4C)nc3n2)ccn1
InChIInChI=1S/C24H29N7O3/c1-15-13-33-10-8-30(15)23-19-4-5-20(18-6-7-25-21(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)
InChIKeyJJFBIDHAKCJKJS-UHFFFAOYSA-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

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Related Compounds

3-[2,4-bis(3-methylmorpholin-4-yl)pyrido[2,3-d]pyrimidin-7-yl]benzoic acid
CID 76539908
3-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-N-methylbenzamide
CID 25262792
(3S)-4-[7-(furan-3-yl)-2-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-4-yl]-3-methylmorpholine
CID 57441887
3-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-N-(oxan-4-yl)benzamide
CID 57463677
(3S)-4-[7-(4-fluorophenyl)-2-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-4-yl]-3-methylmorpholine
CID 57441858
3-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-N-(2H-pyrrol-5-yl)benzamide
CID 58279480
(3S)-4-[7-(1H-indol-5-yl)-2-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-4-yl]-3-methylmorpholine
CID 57441883
N-[[4-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]phenyl]methyl]-N-methylacetamide
CID 57441985
3-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-N-(2-hydroxyethyl)benzenesulfonamide
CID 57441869
N-methyl-3-[4-[(3S)-3-methylmorpholin-4-yl]-2-[(2S)-2-methylpiperidin-1-yl]pyrido[2,3-d]pyrimidin-7-yl]benzamide
CID 58279487
N-[[3-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]phenyl]methyl]-2,2,2-trifluoroacetamide
CID 57441979
N-[[3-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]phenyl]methyl]cyclopropanamine
CID 57463679

Frequently Asked Questions

What is the IUPAC name of N-[4-[2,4-bis(3-methylmorpholin-4-yl)pyrido[2,3-d]pyrimidin-7-yl]-2-pyridinyl]acetamide?
The IUPAC name of N-[4-[2,4-bis(3-methylmorpholin-4-yl)pyrido[2,3-d]pyrimidin-7-yl]-2-pyridinyl]acetamide (CID 66673423) is N-[4-[2,4-bis(3-methylmorpholin-4-yl)pyrido[2,3-d]pyrimidin-7-yl]-2-pyridinyl]acetamide.
What is the SMILES notation for N-[4-[2,4-bis(3-methylmorpholin-4-yl)pyrido[2,3-d]pyrimidin-7-yl]-2-pyridinyl]acetamide?
The canonical SMILES for N-[4-[2,4-bis(3-methylmorpholin-4-yl)pyrido[2,3-d]pyrimidin-7-yl]-2-pyridinyl]acetamide is CC(=O)Nc1cc(-c2ccc3c(N4CCOCC4C)nc(N4CCOCC4C)nc3n2)ccn1.
What is the InChIKey of N-[4-[2,4-bis(3-methylmorpholin-4-yl)pyrido[2,3-d]pyrimidin-7-yl]-2-pyridinyl]acetamide?
The InChIKey is JJFBIDHAKCJKJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N7O3/c1-15-13-33-10-8-30(15)23-19-4-5-20(18-6-7-25-21(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).
What are the key properties of N-[4-[2,4-bis(3-methylmorpholin-4-yl)pyrido[2,3-d]pyrimidin-7-yl]-2-pyridinyl]acetamide?
N-[4-[2,4-bis(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-[4-[2,4-bis(3-methylmorpholin-4-yl)pyrido[2,3-d]pyrimidin-7-yl]-2-pyridinyl]acetamide is sourced from PubChem (CID 66673423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).