N-[6-ethyl-2-(5-phosphanylpentylamino)pyrido[2,3-d]pyrimidin-7-yl]acetamide

C16H24N5OP — CID 59072149

IUPACN-[6-ethyl-2-(5-phosphanylpentylamino)pyrido[2,3-d]pyrimidin-7-yl]acetamide
SMILESCCc1cc2cnc(NCCCCCP)nc2nc1NC(C)=O
InChIInChI=1S/C16H24N5OP/c1-3-12-9-13-10-18-16(17-7-5-4-6-8-23)21-15(13)20-14(12)19-11(2)22/h9-10H,3-8,23H2,1-2H3,(H2,17,18,19,20,21,22)
InChIKeyPJVUPBOSRXWYBK-UHFFFAOYSA-N
MW333.38 g/mol
LogP3.00
Rot. Bonds8

About N-[6-ethyl-2-(5-phosphanylpentylamino)pyrido[2,3-d]pyrimidin-7-yl]acetamide

N-[6-ethyl-2-(5-phosphanylpentylamino)pyrido[2,3-d]pyrimidin-7-yl]acetamide (PubChem CID 59072149) has the molecular formula C16H24N5OP and a molecular weight of 333.38 g/mol. Its IUPAC name is N-[6-ethyl-2-(5-phosphanylpentylamino)pyrido[2,3-d]pyrimidin-7-yl]acetamide.

Molecular Properties

Compound NameN-[6-ethyl-2-(5-phosphanylpentylamino)pyrido[2,3-d]pyrimidin-7-yl]acetamide
PubChem CID59072149
Molecular FormulaC16H24N5OP
Molecular Weight333.38 g/mol
Exact Mass333.17
IUPAC NameN-[6-ethyl-2-(5-phosphanylpentylamino)pyrido[2,3-d]pyrimidin-7-yl]acetamide
SMILESCCc1cc2cnc(NCCCCCP)nc2nc1NC(C)=O
InChIInChI=1S/C16H24N5OP/c1-3-12-9-13-10-18-16(17-7-5-4-6-8-23)21-15(13)20-14(12)19-11(2)22/h9-10H,3-8,23H2,1-2H3,(H2,17,18,19,20,21,22)
InChIKeyPJVUPBOSRXWYBK-UHFFFAOYSA-N
XLogP3.00
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.38
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[6-ethyl-2-(5-phosphanylpentylamino)pyrido[2,3-d]pyrimidin-7-yl]acetamide?
The IUPAC name of N-[6-ethyl-2-(5-phosphanylpentylamino)pyrido[2,3-d]pyrimidin-7-yl]acetamide (CID 59072149) is N-[6-ethyl-2-(5-phosphanylpentylamino)pyrido[2,3-d]pyrimidin-7-yl]acetamide.
What is the SMILES notation for N-[6-ethyl-2-(5-phosphanylpentylamino)pyrido[2,3-d]pyrimidin-7-yl]acetamide?
The canonical SMILES for N-[6-ethyl-2-(5-phosphanylpentylamino)pyrido[2,3-d]pyrimidin-7-yl]acetamide is CCc1cc2cnc(NCCCCCP)nc2nc1NC(C)=O.
What is the InChIKey of N-[6-ethyl-2-(5-phosphanylpentylamino)pyrido[2,3-d]pyrimidin-7-yl]acetamide?
The InChIKey is PJVUPBOSRXWYBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N5OP/c1-3-12-9-13-10-18-16(17-7-5-4-6-8-23)21-15(13)20-14(12)19-11(2)22/h9-10H,3-8,23H2,1-2H3,(H2,17,18,19,20,21,22).
What are the key properties of N-[6-ethyl-2-(5-phosphanylpentylamino)pyrido[2,3-d]pyrimidin-7-yl]acetamide?
N-[6-ethyl-2-(5-phosphanylpentylamino)pyrido[2,3-d]pyrimidin-7-yl]acetamide has a molecular weight of 333.38 g/mol, XLogP of 3.00, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-ethyl-2-(5-phosphanylpentylamino)pyrido[2,3-d]pyrimidin-7-yl]acetamide is sourced from PubChem (CID 59072149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).