N-(3-aminopropyl)-N-[1-(3-benzyl-4-oxopyrido[2,3-d]pyrimidin-2-yl)propyl]-4-methylbenzamide

C28H31N5O2 — CID 54758404

IUPACN-(3-aminopropyl)-N-[1-(3-benzyl-4-oxopyrido[2,3-d]pyrimidin-2-yl)propyl]-4-methylbenzamide
SMILESCCC(c1nc2ncccc2c(=O)n1Cc1ccccc1)N(CCCN)C(=O)c1ccc(C)cc1
InChIInChI=1S/C28H31N5O2/c1-3-24(32(18-8-16-29)27(34)22-14-12-20(2)13-15-22)26-31-25-23(11-7-17-30-25)28(35)33(26)19-21-9-5-4-6-10-21/h4-7,9-15,17,24H,3,8,16,18-19,29H2,1-2H3
InChIKeyHOVNDQICBBHRRQ-UHFFFAOYSA-N
MW469.59 g/mol
LogP4.09
Rot. Bonds9

About N-(3-aminopropyl)-N-[1-(3-benzyl-4-oxopyrido[2,3-d]pyrimidin-2-yl)propyl]-4-methylbenzamide

N-(3-aminopropyl)-N-[1-(3-benzyl-4-oxopyrido[2,3-d]pyrimidin-2-yl)propyl]-4-methylbenzamide (PubChem CID 54758404) has the molecular formula C28H31N5O2 and a molecular weight of 469.59 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-[1-(3-benzyl-4-oxopyrido[2,3-d]pyrimidin-2-yl)propyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-[1-(3-benzyl-4-oxopyrido[2,3-d]pyrimidin-2-yl)propyl]-4-methylbenzamide
PubChem CID54758404
Molecular FormulaC28H31N5O2
Molecular Weight469.59 g/mol
Exact Mass469.25
IUPAC NameN-(3-aminopropyl)-N-[1-(3-benzyl-4-oxopyrido[2,3-d]pyrimidin-2-yl)propyl]-4-methylbenzamide
SMILESCCC(c1nc2ncccc2c(=O)n1Cc1ccccc1)N(CCCN)C(=O)c1ccc(C)cc1
InChIInChI=1S/C28H31N5O2/c1-3-24(32(18-8-16-29)27(34)22-14-12-20(2)13-15-22)26-31-25-23(11-7-17-30-25)28(35)33(26)19-21-9-5-4-6-10-21/h4-7,9-15,17,24H,3,8,16,18-19,29H2,1-2H3
InChIKeyHOVNDQICBBHRRQ-UHFFFAOYSA-N
XLogP4.09
TPSA94.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.59
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(3-aminopropyl)-N-[1-(3-benzyl-4-oxopyrido[2,3-d]pyrimidin-2-yl)propyl]-4-methylbenzamide with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N-[1-(3-benzyl-4-oxopyrido[2,3-d]pyrimidin-2-yl)propyl]-4-methylbenzamide?
The IUPAC name of N-(3-aminopropyl)-N-[1-(3-benzyl-4-oxopyrido[2,3-d]pyrimidin-2-yl)propyl]-4-methylbenzamide (CID 54758404) is N-(3-aminopropyl)-N-[1-(3-benzyl-4-oxopyrido[2,3-d]pyrimidin-2-yl)propyl]-4-methylbenzamide.
What is the SMILES notation for N-(3-aminopropyl)-N-[1-(3-benzyl-4-oxopyrido[2,3-d]pyrimidin-2-yl)propyl]-4-methylbenzamide?
The canonical SMILES for N-(3-aminopropyl)-N-[1-(3-benzyl-4-oxopyrido[2,3-d]pyrimidin-2-yl)propyl]-4-methylbenzamide is CCC(c1nc2ncccc2c(=O)n1Cc1ccccc1)N(CCCN)C(=O)c1ccc(C)cc1.
What is the InChIKey of N-(3-aminopropyl)-N-[1-(3-benzyl-4-oxopyrido[2,3-d]pyrimidin-2-yl)propyl]-4-methylbenzamide?
The InChIKey is HOVNDQICBBHRRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N5O2/c1-3-24(32(18-8-16-29)27(34)22-14-12-20(2)13-15-22)26-31-25-23(11-7-17-30-25)28(35)33(26)19-21-9-5-4-6-10-21/h4-7,9-15,17,24H,3,8,16,18-19,29H2,1-2H3.
What are the key properties of N-(3-aminopropyl)-N-[1-(3-benzyl-4-oxopyrido[2,3-d]pyrimidin-2-yl)propyl]-4-methylbenzamide?
N-(3-aminopropyl)-N-[1-(3-benzyl-4-oxopyrido[2,3-d]pyrimidin-2-yl)propyl]-4-methylbenzamide has a molecular weight of 469.59 g/mol, XLogP of 4.09, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-N-[1-(3-benzyl-4-oxopyrido[2,3-d]pyrimidin-2-yl)propyl]-4-methylbenzamide is sourced from PubChem (CID 54758404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).