3-[2-[2-(hydroxymethyl)piperidin-1-yl]-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]benzamide

C25H30N6O3 — CID 57441929

IUPAC3-[2-[2-(hydroxymethyl)piperidin-1-yl]-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]benzamide
SMILESC[C@H]1COCCN1c1nc(N2CCCCC2CO)nc2nc(-c3cccc(C(N)=O)c3)ccc12
InChIInChI=1S/C25H30N6O3/c1-16-15-34-12-11-30(16)24-20-8-9-21(17-5-4-6-18(13-17)22(26)33)27-23(20)28-25(29-24)31-10-3-2-7-19(31)14-32/h4-6,8-9,13,16,19,32H,2-3,7,10-12,14-15H2,1H3,(H2,26,33)/t16-,19?/m0/s1
InChIKeyBUOWDJVRNVKWND-UCFFOFKASA-N
MW462.55 g/mol
LogP2.37
Rot. Bonds5

About 3-[2-[2-(hydroxymethyl)piperidin-1-yl]-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]benzamide

3-[2-[2-(hydroxymethyl)piperidin-1-yl]-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]benzamide (PubChem CID 57441929) has the molecular formula C25H30N6O3 and a molecular weight of 462.55 g/mol. Its IUPAC name is 3-[2-[2-(hydroxymethyl)piperidin-1-yl]-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]benzamide.

Molecular Properties

Compound Name3-[2-[2-(hydroxymethyl)piperidin-1-yl]-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]benzamide
PubChem CID57441929
Molecular FormulaC25H30N6O3
Molecular Weight462.55 g/mol
Exact Mass462.24
IUPAC Name3-[2-[2-(hydroxymethyl)piperidin-1-yl]-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]benzamide
SMILESC[C@H]1COCCN1c1nc(N2CCCCC2CO)nc2nc(-c3cccc(C(N)=O)c3)ccc12
InChIInChI=1S/C25H30N6O3/c1-16-15-34-12-11-30(16)24-20-8-9-21(17-5-4-6-18(13-17)22(26)33)27-23(20)28-25(29-24)31-10-3-2-7-19(31)14-32/h4-6,8-9,13,16,19,32H,2-3,7,10-12,14-15H2,1H3,(H2,26,33)/t16-,19?/m0/s1
InChIKeyBUOWDJVRNVKWND-UCFFOFKASA-N
XLogP2.37
TPSA117.70 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.55
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

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
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
3-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-N-(oxan-4-yl)benzamide
CID 57463677
3-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-N-(2-hydroxyethyl)benzenesulfonamide
CID 57441869
[2-methoxy-5-[4-[(3S)-3-methylmorpholin-4-yl]-2-[(2R)-2-methylpiperidin-1-yl]pyrido[2,3-d]pyrimidin-7-yl]phenyl]methanol
CID 25000369
3-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-N-(2H-pyrrol-5-yl)benzamide
CID 58279480
N-methyl-3-[2-[(3S)-3-methylmorpholin-4-yl]-4-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)pyrido[2,3-d]pyrimidin-7-yl]benzamide
CID 118591386
N-[[3-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]phenyl]methyl]cyclopropanamine
CID 57463679
3-[2-chloro-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-N-cyclopropylbenzamide
CID 155131278
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
3-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-N-methylbenzamide
CID 147794697

Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-(hydroxymethyl)piperidin-1-yl]-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]benzamide?
The IUPAC name of 3-[2-[2-(hydroxymethyl)piperidin-1-yl]-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]benzamide (CID 57441929) is 3-[2-[2-(hydroxymethyl)piperidin-1-yl]-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]benzamide.
What is the SMILES notation for 3-[2-[2-(hydroxymethyl)piperidin-1-yl]-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]benzamide?
The canonical SMILES for 3-[2-[2-(hydroxymethyl)piperidin-1-yl]-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]benzamide is C[C@H]1COCCN1c1nc(N2CCCCC2CO)nc2nc(-c3cccc(C(N)=O)c3)ccc12.
What is the InChIKey of 3-[2-[2-(hydroxymethyl)piperidin-1-yl]-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]benzamide?
The InChIKey is BUOWDJVRNVKWND-UCFFOFKASA-N. The full InChI is InChI=1S/C25H30N6O3/c1-16-15-34-12-11-30(16)24-20-8-9-21(17-5-4-6-18(13-17)22(26)33)27-23(20)28-25(29-24)31-10-3-2-7-19(31)14-32/h4-6,8-9,13,16,19,32H,2-3,7,10-12,14-15H2,1H3,(H2,26,33)/t16-,19?/m0/s1.
What are the key properties of 3-[2-[2-(hydroxymethyl)piperidin-1-yl]-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]benzamide?
3-[2-[2-(hydroxymethyl)piperidin-1-yl]-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]benzamide has a molecular weight of 462.55 g/mol, XLogP of 2.37, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-(hydroxymethyl)piperidin-1-yl]-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]benzamide is sourced from PubChem (CID 57441929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).