4-[3-(2-amino-4-oxo-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-6-yl)propyl]-N-methylbenzamide

C18H23N5O2 — CID 143864841

IUPAC4-[3-(2-amino-4-oxo-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-6-yl)propyl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(CCCC2CNc3nc(N)[nH]c(=O)c3C2)cc1
InChIInChI=1S/C18H23N5O2/c1-20-16(24)13-7-5-11(6-8-13)3-2-4-12-9-14-15(21-10-12)22-18(19)23-17(14)25/h5-8,12H,2-4,9-10H2,1H3,(H,20,24)(H4,19,21,22,23,25)
InChIKeyRVDISSWWBOOPEP-UHFFFAOYSA-N
MW341.42 g/mol
LogP1.32
Rot. Bonds5

About 4-[3-(2-amino-4-oxo-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-6-yl)propyl]-N-methylbenzamide

4-[3-(2-amino-4-oxo-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-6-yl)propyl]-N-methylbenzamide (PubChem CID 143864841) has the molecular formula C18H23N5O2 and a molecular weight of 341.42 g/mol. Its IUPAC name is 4-[3-(2-amino-4-oxo-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-6-yl)propyl]-N-methylbenzamide.

Molecular Properties

Compound Name4-[3-(2-amino-4-oxo-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-6-yl)propyl]-N-methylbenzamide
PubChem CID143864841
Molecular FormulaC18H23N5O2
Molecular Weight341.42 g/mol
Exact Mass341.19
IUPAC Name4-[3-(2-amino-4-oxo-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-6-yl)propyl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(CCCC2CNc3nc(N)[nH]c(=O)c3C2)cc1
InChIInChI=1S/C18H23N5O2/c1-20-16(24)13-7-5-11(6-8-13)3-2-4-12-9-14-15(21-10-12)22-18(19)23-17(14)25/h5-8,12H,2-4,9-10H2,1H3,(H,20,24)(H4,19,21,22,23,25)
InChIKeyRVDISSWWBOOPEP-UHFFFAOYSA-N
XLogP1.32
TPSA112.90 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 51.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-amino-4-oxo-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-6-yl)propyl]-N-methylbenzamide?
The IUPAC name of 4-[3-(2-amino-4-oxo-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-6-yl)propyl]-N-methylbenzamide (CID 143864841) is 4-[3-(2-amino-4-oxo-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-6-yl)propyl]-N-methylbenzamide.
What is the SMILES notation for 4-[3-(2-amino-4-oxo-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-6-yl)propyl]-N-methylbenzamide?
The canonical SMILES for 4-[3-(2-amino-4-oxo-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-6-yl)propyl]-N-methylbenzamide is CNC(=O)c1ccc(CCCC2CNc3nc(N)[nH]c(=O)c3C2)cc1.
What is the InChIKey of 4-[3-(2-amino-4-oxo-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-6-yl)propyl]-N-methylbenzamide?
The InChIKey is RVDISSWWBOOPEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2/c1-20-16(24)13-7-5-11(6-8-13)3-2-4-12-9-14-15(21-10-12)22-18(19)23-17(14)25/h5-8,12H,2-4,9-10H2,1H3,(H,20,24)(H4,19,21,22,23,25).
What are the key properties of 4-[3-(2-amino-4-oxo-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-6-yl)propyl]-N-methylbenzamide?
4-[3-(2-amino-4-oxo-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-6-yl)propyl]-N-methylbenzamide has a molecular weight of 341.42 g/mol, XLogP of 1.32, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-amino-4-oxo-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-6-yl)propyl]-N-methylbenzamide is sourced from PubChem (CID 143864841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).