2-heptyl-8H-pyrido[2,3-d]pyrimidin-7-one

C14H19N3O — CID 175827210

IUPAC2-heptyl-8H-pyrido[2,3-d]pyrimidin-7-one
SMILESCCCCCCCc1ncc2ccc(=O)[nH]c2n1
InChIInChI=1S/C14H19N3O/c1-2-3-4-5-6-7-12-15-10-11-8-9-13(18)17-14(11)16-12/h8-10H,2-7H2,1H3,(H,15,16,17,18)
InChIKeyNTABQDTXWHKZKP-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.83
Rot. Bonds6

About 2-heptyl-8H-pyrido[2,3-d]pyrimidin-7-one

2-heptyl-8H-pyrido[2,3-d]pyrimidin-7-one (PubChem CID 175827210) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 2-heptyl-8H-pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name2-heptyl-8H-pyrido[2,3-d]pyrimidin-7-one
PubChem CID175827210
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name2-heptyl-8H-pyrido[2,3-d]pyrimidin-7-one
SMILESCCCCCCCc1ncc2ccc(=O)[nH]c2n1
InChIInChI=1S/C14H19N3O/c1-2-3-4-5-6-7-12-15-10-11-8-9-13(18)17-14(11)16-12/h8-10H,2-7H2,1H3,(H,15,16,17,18)
InChIKeyNTABQDTXWHKZKP-UHFFFAOYSA-N
XLogP2.83
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-ethoxy-8H-pyrido[2,3-d]pyrimidin-7-one
CID 175776312
2-pentyl-7H-pyrrolo[2,3-h]quinazoline
CID 68572299
2-pentylpyrido[2,3-d]pyrimidin-7-amine
CID 67700184
2,4-dioctadecyl-1,3,5-triazine
CID 91537200
7-ethyl-1H-1,8-naphthyridin-2-one
CID 23335413
methyl 5-methyl-2-pentyl-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylate
CID 141209273
1-chloropentane;1H-quinolin-2-one
CID 174326674
4-(1H-indol-2-yl)-2-pentylpyrimidin-5-amine
CID 175181341
5-bromo-2-hexylpyrimidine
CID 122446219
2-(2-hydroxyethylamino)-8H-pyrido[2,3-d]pyrimidin-7-one
CID 121470912
2-hexyl-1,3,5-diazaphosphinine
CID 174848227
ethane;7-pentoxy-1H-quinolin-2-one
CID 144829550

Frequently Asked Questions

What is the IUPAC name of 2-heptyl-8H-pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 2-heptyl-8H-pyrido[2,3-d]pyrimidin-7-one (CID 175827210) is 2-heptyl-8H-pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 2-heptyl-8H-pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 2-heptyl-8H-pyrido[2,3-d]pyrimidin-7-one is CCCCCCCc1ncc2ccc(=O)[nH]c2n1.
What is the InChIKey of 2-heptyl-8H-pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is NTABQDTXWHKZKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-2-3-4-5-6-7-12-15-10-11-8-9-13(18)17-14(11)16-12/h8-10H,2-7H2,1H3,(H,15,16,17,18).
What are the key properties of 2-heptyl-8H-pyrido[2,3-d]pyrimidin-7-one?
2-heptyl-8H-pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 245.33 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-heptyl-8H-pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 175827210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).