N-[3-(morpholine-4-carbonyl)phenyl]-N-(naphthalen-2-ylmethyl)-3-oxo-3-pyrimidin-2-ylpropanamide

C29H26N4O4 — CID 505011

IUPACN-[3-(morpholine-4-carbonyl)phenyl]-N-(naphthalen-2-ylmethyl)-3-oxo-3-pyrimidin-2-ylpropanamide
SMILESO=C(CC(=O)N(Cc1ccc2ccccc2c1)c1cccc(C(=O)N2CCOCC2)c1)c1ncccn1
InChIInChI=1S/C29H26N4O4/c34-26(28-30-11-4-12-31-28)19-27(35)33(20-21-9-10-22-5-1-2-6-23(22)17-21)25-8-3-7-24(18-25)29(36)32-13-15-37-16-14-32/h1-12,17-18H,13-16,19-20H2
InChIKeySOKKHFYKOBZUOB-UHFFFAOYSA-N
MW494.55 g/mol
LogP3.91
Rot. Bonds7

About N-[3-(morpholine-4-carbonyl)phenyl]-N-(naphthalen-2-ylmethyl)-3-oxo-3-pyrimidin-2-ylpropanamide

N-[3-(morpholine-4-carbonyl)phenyl]-N-(naphthalen-2-ylmethyl)-3-oxo-3-pyrimidin-2-ylpropanamide (PubChem CID 505011) has the molecular formula C29H26N4O4 and a molecular weight of 494.55 g/mol. Its IUPAC name is N-[3-(morpholine-4-carbonyl)phenyl]-N-(naphthalen-2-ylmethyl)-3-oxo-3-pyrimidin-2-ylpropanamide.

Molecular Properties

Compound NameN-[3-(morpholine-4-carbonyl)phenyl]-N-(naphthalen-2-ylmethyl)-3-oxo-3-pyrimidin-2-ylpropanamide
PubChem CID505011
Molecular FormulaC29H26N4O4
Molecular Weight494.55 g/mol
Exact Mass494.20
IUPAC NameN-[3-(morpholine-4-carbonyl)phenyl]-N-(naphthalen-2-ylmethyl)-3-oxo-3-pyrimidin-2-ylpropanamide
SMILESO=C(CC(=O)N(Cc1ccc2ccccc2c1)c1cccc(C(=O)N2CCOCC2)c1)c1ncccn1
InChIInChI=1S/C29H26N4O4/c34-26(28-30-11-4-12-31-28)19-27(35)33(20-21-9-10-22-5-1-2-6-23(22)17-21)25-8-3-7-24(18-25)29(36)32-13-15-37-16-14-32/h1-12,17-18H,13-16,19-20H2
InChIKeySOKKHFYKOBZUOB-UHFFFAOYSA-N
XLogP3.91
TPSA92.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.55
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

6-carbamimidoyl-N-phenyl-4-(pyrimidin-2-ylamino)naphthalene-2-carboxamide
CID 10278414
3-[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]-8-naphthalen-1-ylquinazolin-4-one
CID 137631779
Morpholin-4-yl(5-{[4-(trifluoromethyl)pyrimidin-2-yl]amino}biphenyl-3-yl)methanone
CID 90041497
US9579320, Example 522
CID 59199654
4-tert-butyl-N-[3-[4-[4-(morpholine-4-carbonyl)anilino]pyrimidin-2-yl]phenyl]benzamide
CID 90656045
3-[2-Naphthylmethyl-(3-oxo-3-pyrimidin-2-yl-propanoyl)amino]benzoic acid
CID 504974
N,N-Dimethyl-3-[(3-oxo-3-pyrimidin-2-yl-propionyl)-(3-trifluoromethyl-benzyl)-amino]-benzamide
CID 505196
N-isopropyl-3-[2-naphthylmethyl-(3-oxo-3-pyrimidin-2-yl-propanoyl)amino]benzamide
CID 504975
N-(2-naphthylmethyl)-3-oxo-N-phenyl-3-pyrimidin-2-yl-propanamide
CID 504994
N-benzyl-N-(2-naphthylmethyl)-3-oxo-3-pyrimidin-2-yl-propanamide
CID 504998
N,N-dimethyl-3-[2-naphthylmethyl-(3-oxo-3-pyrimidin-2-yl-propanoyl)amino]benzamide
CID 505002
N-(2-naphthylmethyl)-3-oxo-3-pyrimidin-2-yl-N-[2-(trifluoromethyl)phenyl]propanamide
CID 505004

Frequently Asked Questions

What is the IUPAC name of N-[3-(morpholine-4-carbonyl)phenyl]-N-(naphthalen-2-ylmethyl)-3-oxo-3-pyrimidin-2-ylpropanamide?
The IUPAC name of N-[3-(morpholine-4-carbonyl)phenyl]-N-(naphthalen-2-ylmethyl)-3-oxo-3-pyrimidin-2-ylpropanamide (CID 505011) is N-[3-(morpholine-4-carbonyl)phenyl]-N-(naphthalen-2-ylmethyl)-3-oxo-3-pyrimidin-2-ylpropanamide.
What is the SMILES notation for N-[3-(morpholine-4-carbonyl)phenyl]-N-(naphthalen-2-ylmethyl)-3-oxo-3-pyrimidin-2-ylpropanamide?
The canonical SMILES for N-[3-(morpholine-4-carbonyl)phenyl]-N-(naphthalen-2-ylmethyl)-3-oxo-3-pyrimidin-2-ylpropanamide is O=C(CC(=O)N(Cc1ccc2ccccc2c1)c1cccc(C(=O)N2CCOCC2)c1)c1ncccn1.
What is the InChIKey of N-[3-(morpholine-4-carbonyl)phenyl]-N-(naphthalen-2-ylmethyl)-3-oxo-3-pyrimidin-2-ylpropanamide?
The InChIKey is SOKKHFYKOBZUOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26N4O4/c34-26(28-30-11-4-12-31-28)19-27(35)33(20-21-9-10-22-5-1-2-6-23(22)17-21)25-8-3-7-24(18-25)29(36)32-13-15-37-16-14-32/h1-12,17-18H,13-16,19-20H2.
What are the key properties of N-[3-(morpholine-4-carbonyl)phenyl]-N-(naphthalen-2-ylmethyl)-3-oxo-3-pyrimidin-2-ylpropanamide?
N-[3-(morpholine-4-carbonyl)phenyl]-N-(naphthalen-2-ylmethyl)-3-oxo-3-pyrimidin-2-ylpropanamide has a molecular weight of 494.55 g/mol, XLogP of 3.91, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(morpholine-4-carbonyl)phenyl]-N-(naphthalen-2-ylmethyl)-3-oxo-3-pyrimidin-2-ylpropanamide is sourced from PubChem (CID 505011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).