5-[2-[[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]-methylamino]ethyl-methylamino]pyridine-2-carboxylic acid

C30H34N8O4 — CID 162704848

IUPAC5-[2-[[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]-methylamino]ethyl-methylamino]pyridine-2-carboxylic acid
SMILESCC(=O)c1c(C)c2cnc(Nc3ccc(N(C)CCN(C)c4ccc(C(=O)O)nc4)cn3)nc2n(C2CCCC2)c1=O
InChIInChI=1S/C30H34N8O4/c1-18-23-17-33-30(35-27(23)38(20-7-5-6-8-20)28(40)26(18)19(2)39)34-25-12-10-22(16-32-25)37(4)14-13-36(3)21-9-11-24(29(41)42)31-15-21/h9-12,15-17,20H,5-8,13-14H2,1-4H3,(H,41,42)(H,32,33,34,35)
InChIKeyGEOULYGXDCGNLN-UHFFFAOYSA-N
MW570.65 g/mol
LogP4.22
Rot. Bonds10

About 5-[2-[[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]-methylamino]ethyl-methylamino]pyridine-2-carboxylic acid

5-[2-[[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]-methylamino]ethyl-methylamino]pyridine-2-carboxylic acid (PubChem CID 162704848) has the molecular formula C30H34N8O4 and a molecular weight of 570.65 g/mol. Its IUPAC name is 5-[2-[[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]-methylamino]ethyl-methylamino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[2-[[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]-methylamino]ethyl-methylamino]pyridine-2-carboxylic acid
PubChem CID162704848
Molecular FormulaC30H34N8O4
Molecular Weight570.65 g/mol
Exact Mass570.27
IUPAC Name5-[2-[[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]-methylamino]ethyl-methylamino]pyridine-2-carboxylic acid
SMILESCC(=O)c1c(C)c2cnc(Nc3ccc(N(C)CCN(C)c4ccc(C(=O)O)nc4)cn3)nc2n(C2CCCC2)c1=O
InChIInChI=1S/C30H34N8O4/c1-18-23-17-33-30(35-27(23)38(20-7-5-6-8-20)28(40)26(18)19(2)39)34-25-12-10-22(16-32-25)37(4)14-13-36(3)21-9-11-24(29(41)42)31-15-21/h9-12,15-17,20H,5-8,13-14H2,1-4H3,(H,41,42)(H,32,33,34,35)
InChIKeyGEOULYGXDCGNLN-UHFFFAOYSA-N
XLogP4.22
TPSA146.44 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds10
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500570.65
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Analyze 5-[2-[[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]-methylamino]ethyl-methylamino]pyridine-2-carboxylic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]-methylamino]ethyl-methylamino]pyridine-2-carboxylic acid?
The IUPAC name of 5-[2-[[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]-methylamino]ethyl-methylamino]pyridine-2-carboxylic acid (CID 162704848) is 5-[2-[[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]-methylamino]ethyl-methylamino]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-[2-[[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]-methylamino]ethyl-methylamino]pyridine-2-carboxylic acid?
The canonical SMILES for 5-[2-[[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]-methylamino]ethyl-methylamino]pyridine-2-carboxylic acid is CC(=O)c1c(C)c2cnc(Nc3ccc(N(C)CCN(C)c4ccc(C(=O)O)nc4)cn3)nc2n(C2CCCC2)c1=O.
What is the InChIKey of 5-[2-[[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]-methylamino]ethyl-methylamino]pyridine-2-carboxylic acid?
The InChIKey is GEOULYGXDCGNLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34N8O4/c1-18-23-17-33-30(35-27(23)38(20-7-5-6-8-20)28(40)26(18)19(2)39)34-25-12-10-22(16-32-25)37(4)14-13-36(3)21-9-11-24(29(41)42)31-15-21/h9-12,15-17,20H,5-8,13-14H2,1-4H3,(H,41,42)(H,32,33,34,35).
What are the key properties of 5-[2-[[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]-methylamino]ethyl-methylamino]pyridine-2-carboxylic acid?
5-[2-[[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]-methylamino]ethyl-methylamino]pyridine-2-carboxylic acid has a molecular weight of 570.65 g/mol, XLogP of 4.22, 10 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]-methylamino]ethyl-methylamino]pyridine-2-carboxylic acid is sourced from PubChem (CID 162704848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).