N-[(4-oxo-3H-pteridin-2-yl)methyl]-3-phenylpropanamide

C32H30N10O4 — CID 160656435

IUPACN-[(4-oxo-3H-pteridin-2-yl)methyl]-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)NCc1nc2nccnc2c(=O)[nH]1.O=C(CCc1ccccc1)NCc1nc2nccnc2c(=O)[nH]1
InChIInChI=1S/2C16H15N5O2/c2*22-13(7-6-11-4-2-1-3-5-11)19-10-12-20-15-14(16(23)21-12)17-8-9-18-15/h2*1-5,8-9H,6-7,10H2,(H,19,22)(H,18,20,21,23)
InChIKeyRLCKWRSXVHHSHV-UHFFFAOYSA-N
MW618.66 g/mol
LogP1.92
Rot. Bonds10

About N-[(4-oxo-3H-pteridin-2-yl)methyl]-3-phenylpropanamide

N-[(4-oxo-3H-pteridin-2-yl)methyl]-3-phenylpropanamide (PubChem CID 160656435) has the molecular formula C32H30N10O4 and a molecular weight of 618.66 g/mol. Its IUPAC name is N-[(4-oxo-3H-pteridin-2-yl)methyl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[(4-oxo-3H-pteridin-2-yl)methyl]-3-phenylpropanamide
PubChem CID160656435
Molecular FormulaC32H30N10O4
Molecular Weight618.66 g/mol
Exact Mass618.25
IUPAC NameN-[(4-oxo-3H-pteridin-2-yl)methyl]-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)NCc1nc2nccnc2c(=O)[nH]1.O=C(CCc1ccccc1)NCc1nc2nccnc2c(=O)[nH]1
InChIInChI=1S/2C16H15N5O2/c2*22-13(7-6-11-4-2-1-3-5-11)19-10-12-20-15-14(16(23)21-12)17-8-9-18-15/h2*1-5,8-9H,6-7,10H2,(H,19,22)(H,18,20,21,23)
InChIKeyRLCKWRSXVHHSHV-UHFFFAOYSA-N
XLogP1.92
TPSA201.26 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms46
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500618.66
LogP ≤ 51.92
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

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Related Compounds

N-[(5-oxo-6H-pyrimido[4,5-c]pyridazin-7-yl)methyl]-3-phenylpropanamide
CID 135923546
2-(benzylsulfanylmethyl)-3H-pteridin-4-one
CID 135536693
3-(4-oxo-3H-quinazolin-2-yl)-N-(2-phenylethyl)propanamide
CID 135636453
3-phenyl-N-[[4-(2H-pyrazolo[3,4-b]pyrazin-3-yl)cyclohexyl]methyl]propanamide
CID 98074501
N-[2-(2-methyl-4-oxopyrido[2,3-d]pyrimidin-3-yl)ethyl]-3-phenylpropanamide
CID 71706166
N-[(3-fluorophenyl)methyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 137292595
N-(1H-benzimidazol-2-ylmethyl)-3-(4-tert-butylphenyl)propanamide
CID 18105142
N-[(6-methyl-3-pyridinyl)methyl]-3-phenylpropanamide
CID 47038622
2-hydrazinyl-3H-pteridin-4-one;2-hydroxyacetic acid
CID 175444308
3-(4-oxo-3H-quinazolin-2-yl)-N-prop-2-ynylpropanamide
CID 135687166
acetylene;ethane;N-(2-oxopropyl)-3-phenylpropanamide
CID 170949279
N-[[4-(bromomethyl)phenyl]methyl]-3-phenylpropanamide
CID 107233854

Frequently Asked Questions

What is the IUPAC name of N-[(4-oxo-3H-pteridin-2-yl)methyl]-3-phenylpropanamide?
The IUPAC name of N-[(4-oxo-3H-pteridin-2-yl)methyl]-3-phenylpropanamide (CID 160656435) is N-[(4-oxo-3H-pteridin-2-yl)methyl]-3-phenylpropanamide.
What is the SMILES notation for N-[(4-oxo-3H-pteridin-2-yl)methyl]-3-phenylpropanamide?
The canonical SMILES for N-[(4-oxo-3H-pteridin-2-yl)methyl]-3-phenylpropanamide is O=C(CCc1ccccc1)NCc1nc2nccnc2c(=O)[nH]1.O=C(CCc1ccccc1)NCc1nc2nccnc2c(=O)[nH]1.
What is the InChIKey of N-[(4-oxo-3H-pteridin-2-yl)methyl]-3-phenylpropanamide?
The InChIKey is RLCKWRSXVHHSHV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C16H15N5O2/c2*22-13(7-6-11-4-2-1-3-5-11)19-10-12-20-15-14(16(23)21-12)17-8-9-18-15/h2*1-5,8-9H,6-7,10H2,(H,19,22)(H,18,20,21,23).
What are the key properties of N-[(4-oxo-3H-pteridin-2-yl)methyl]-3-phenylpropanamide?
N-[(4-oxo-3H-pteridin-2-yl)methyl]-3-phenylpropanamide has a molecular weight of 618.66 g/mol, XLogP of 1.92, 10 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-oxo-3H-pteridin-2-yl)methyl]-3-phenylpropanamide is sourced from PubChem (CID 160656435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).