8-(3-phenylmethoxypropyl)-2-(N-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one

C28H31N5O2 — CID 70112450

IUPAC8-(3-phenylmethoxypropyl)-2-(N-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one
SMILESO=c1ccc2cnc(N(c3ccccc3)C3CCNCC3)nc2n1CCCOCc1ccccc1
InChIInChI=1S/C28H31N5O2/c34-26-13-12-23-20-30-28(33(24-10-5-2-6-11-24)25-14-16-29-17-15-25)31-27(23)32(26)18-7-19-35-21-22-8-3-1-4-9-22/h1-6,8-13,20,25,29H,7,14-19,21H2
InChIKeyBHJMDJWPPQKSRH-UHFFFAOYSA-N
MW469.59 g/mol
LogP4.29
Rot. Bonds9

About 8-(3-phenylmethoxypropyl)-2-(N-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one

8-(3-phenylmethoxypropyl)-2-(N-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 70112450) has the molecular formula C28H31N5O2 and a molecular weight of 469.59 g/mol. Its IUPAC name is 8-(3-phenylmethoxypropyl)-2-(N-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name8-(3-phenylmethoxypropyl)-2-(N-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one
PubChem CID70112450
Molecular FormulaC28H31N5O2
Molecular Weight469.59 g/mol
Exact Mass469.25
IUPAC Name8-(3-phenylmethoxypropyl)-2-(N-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one
SMILESO=c1ccc2cnc(N(c3ccccc3)C3CCNCC3)nc2n1CCCOCc1ccccc1
InChIInChI=1S/C28H31N5O2/c34-26-13-12-23-20-30-28(33(24-10-5-2-6-11-24)25-14-16-29-17-15-25)31-27(23)32(26)18-7-19-35-21-22-8-3-1-4-9-22/h1-6,8-13,20,25,29H,7,14-19,21H2
InChIKeyBHJMDJWPPQKSRH-UHFFFAOYSA-N
XLogP4.29
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.59
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

8-(3-methoxypropyl)-2-(N-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one
CID 70112222
8-(3,3-dimethylbutyl)-2-(N-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one
CID 70114097
8-[2-(4-phenylphenyl)ethyl]-2-(N-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one
CID 70111873
8-[2-(4-methoxyphenyl)ethyl]-2-(N-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one
CID 70346791
8-(cyclohex-3-en-1-ylmethyl)-2-(N-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one
CID 70114854
2-(N-piperidin-4-ylanilino)-8-(9H-xanthen-9-yl)pyrido[2,3-d]pyrimidin-7-one
CID 70113134
7-amino-8-ethyl-5-oxo-2-(N-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidine-6-carboxamide
CID 123568985
4-(3-phenylmethoxypropoxy)piperidine
CID 171491541
3-amino-1-(3-phenylmethoxypropyl)azetidin-2-one
CID 130948949
2-anilino-8-butylpyrido[2,3-d]pyrimidin-7-one
CID 5330228
4-[N-(2H-triazolo[4,5-d]pyrimidin-5-yl)anilino]cyclohexan-1-ol
CID 90737217
1-(2-phenylmethoxyethyl)piperazine;dihydrochloride
CID 154704526

Frequently Asked Questions

What is the IUPAC name of 8-(3-phenylmethoxypropyl)-2-(N-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 8-(3-phenylmethoxypropyl)-2-(N-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one (CID 70112450) is 8-(3-phenylmethoxypropyl)-2-(N-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 8-(3-phenylmethoxypropyl)-2-(N-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 8-(3-phenylmethoxypropyl)-2-(N-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one is O=c1ccc2cnc(N(c3ccccc3)C3CCNCC3)nc2n1CCCOCc1ccccc1.
What is the InChIKey of 8-(3-phenylmethoxypropyl)-2-(N-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is BHJMDJWPPQKSRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N5O2/c34-26-13-12-23-20-30-28(33(24-10-5-2-6-11-24)25-14-16-29-17-15-25)31-27(23)32(26)18-7-19-35-21-22-8-3-1-4-9-22/h1-6,8-13,20,25,29H,7,14-19,21H2.
What are the key properties of 8-(3-phenylmethoxypropyl)-2-(N-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one?
8-(3-phenylmethoxypropyl)-2-(N-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 469.59 g/mol, XLogP of 4.29, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-phenylmethoxypropyl)-2-(N-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 70112450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).