N-[4-[2-[3-(hydroxymethyl)phenyl]-6-morpholin-4-ylpyrimidin-4-yl]phenyl]-3-pyridin-3-ylpropanamide

C29H29N5O3 — CID 69247920

IUPACN-[4-[2-[3-(hydroxymethyl)phenyl]-6-morpholin-4-ylpyrimidin-4-yl]phenyl]-3-pyridin-3-ylpropanamide
SMILESO=C(CCc1cccnc1)Nc1ccc(-c2cc(N3CCOCC3)nc(-c3cccc(CO)c3)n2)cc1
InChIInChI=1S/C29H29N5O3/c35-20-22-3-1-5-24(17-22)29-32-26(18-27(33-29)34-13-15-37-16-14-34)23-7-9-25(10-8-23)31-28(36)11-6-21-4-2-12-30-19-21/h1-5,7-10,12,17-19,35H,6,11,13-16,20H2,(H,31,36)
InChIKeyFQELZZJTZTXDSK-UHFFFAOYSA-N
MW495.58 g/mol
LogP4.11
Rot. Bonds8

About N-[4-[2-[3-(hydroxymethyl)phenyl]-6-morpholin-4-ylpyrimidin-4-yl]phenyl]-3-pyridin-3-ylpropanamide

N-[4-[2-[3-(hydroxymethyl)phenyl]-6-morpholin-4-ylpyrimidin-4-yl]phenyl]-3-pyridin-3-ylpropanamide (PubChem CID 69247920) has the molecular formula C29H29N5O3 and a molecular weight of 495.58 g/mol. Its IUPAC name is N-[4-[2-[3-(hydroxymethyl)phenyl]-6-morpholin-4-ylpyrimidin-4-yl]phenyl]-3-pyridin-3-ylpropanamide.

Molecular Properties

Compound NameN-[4-[2-[3-(hydroxymethyl)phenyl]-6-morpholin-4-ylpyrimidin-4-yl]phenyl]-3-pyridin-3-ylpropanamide
PubChem CID69247920
Molecular FormulaC29H29N5O3
Molecular Weight495.58 g/mol
Exact Mass495.23
IUPAC NameN-[4-[2-[3-(hydroxymethyl)phenyl]-6-morpholin-4-ylpyrimidin-4-yl]phenyl]-3-pyridin-3-ylpropanamide
SMILESO=C(CCc1cccnc1)Nc1ccc(-c2cc(N3CCOCC3)nc(-c3cccc(CO)c3)n2)cc1
InChIInChI=1S/C29H29N5O3/c35-20-22-3-1-5-24(17-22)29-32-26(18-27(33-29)34-13-15-37-16-14-34)23-7-9-25(10-8-23)31-28(36)11-6-21-4-2-12-30-19-21/h1-5,7-10,12,17-19,35H,6,11,13-16,20H2,(H,31,36)
InChIKeyFQELZZJTZTXDSK-UHFFFAOYSA-N
XLogP4.11
TPSA100.47 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.58
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-morpholin-4-ylphenyl)-3-pyridin-3-ylpropanamide
CID 35147983
[3-[4-(3-amino-4-fluorophenyl)-6-morpholin-4-ylpyrimidin-2-yl]phenyl]methanol
CID 69247298
2-[5-[3-(hydroxymethyl)phenyl]-7-morpholin-4-yltriazolo[4,5-d]pyrimidin-3-yl]-N-pyridin-3-ylacetamide
CID 68639132
N-(4-morpholin-4-ylphenyl)-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 17354680
N-(3-morpholin-4-ylsulfonylphenyl)-3-pyridin-3-ylpropanamide
CID 9204402
N-(4-iodophenyl)-3-pyridin-3-ylpropanamide
CID 9206675
2-[3-(methylsulfanylamino)phenyl]-6-morpholin-4-yl-N-(2-pyridin-3-ylethyl)pyrimidin-4-amine
CID 143437669
3-(3-chlorophenyl)-N-[4-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]propanamide
CID 122297405
N-[1-(morpholine-4-carbonyl)piperidin-4-yl]-3-pyridin-3-ylpropanamide
CID 77081879
N-(2,6-dichlorophenyl)-4-[4-(3-pyridin-3-ylpropanoylamino)phenyl]piperazine-1-carboxamide
CID 58258332
N-[4-[4-[[dihydroxy(methyl)-λ4-sulfanyl]methyl]-6-morpholin-4-ylpyrimidin-2-yl]phenyl]-3-(furan-2-yl)propanamide
CID 59535912
N-(3-acetylphenyl)-3-pyridin-3-ylpropanamide
CID 9209643

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[3-(hydroxymethyl)phenyl]-6-morpholin-4-ylpyrimidin-4-yl]phenyl]-3-pyridin-3-ylpropanamide?
The IUPAC name of N-[4-[2-[3-(hydroxymethyl)phenyl]-6-morpholin-4-ylpyrimidin-4-yl]phenyl]-3-pyridin-3-ylpropanamide (CID 69247920) is N-[4-[2-[3-(hydroxymethyl)phenyl]-6-morpholin-4-ylpyrimidin-4-yl]phenyl]-3-pyridin-3-ylpropanamide.
What is the SMILES notation for N-[4-[2-[3-(hydroxymethyl)phenyl]-6-morpholin-4-ylpyrimidin-4-yl]phenyl]-3-pyridin-3-ylpropanamide?
The canonical SMILES for N-[4-[2-[3-(hydroxymethyl)phenyl]-6-morpholin-4-ylpyrimidin-4-yl]phenyl]-3-pyridin-3-ylpropanamide is O=C(CCc1cccnc1)Nc1ccc(-c2cc(N3CCOCC3)nc(-c3cccc(CO)c3)n2)cc1.
What is the InChIKey of N-[4-[2-[3-(hydroxymethyl)phenyl]-6-morpholin-4-ylpyrimidin-4-yl]phenyl]-3-pyridin-3-ylpropanamide?
The InChIKey is FQELZZJTZTXDSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29N5O3/c35-20-22-3-1-5-24(17-22)29-32-26(18-27(33-29)34-13-15-37-16-14-34)23-7-9-25(10-8-23)31-28(36)11-6-21-4-2-12-30-19-21/h1-5,7-10,12,17-19,35H,6,11,13-16,20H2,(H,31,36).
What are the key properties of N-[4-[2-[3-(hydroxymethyl)phenyl]-6-morpholin-4-ylpyrimidin-4-yl]phenyl]-3-pyridin-3-ylpropanamide?
N-[4-[2-[3-(hydroxymethyl)phenyl]-6-morpholin-4-ylpyrimidin-4-yl]phenyl]-3-pyridin-3-ylpropanamide has a molecular weight of 495.58 g/mol, XLogP of 4.11, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[3-(hydroxymethyl)phenyl]-6-morpholin-4-ylpyrimidin-4-yl]phenyl]-3-pyridin-3-ylpropanamide is sourced from PubChem (CID 69247920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).