(2Z)-N-(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)-4-[1-(cyclopropylmethyl)piperidin-4-yl]-N'-methylpenta-2,4-dienimidamide

C30H40N6O2 — CID 144744643

IUPAC(2Z)-N-(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)-4-[1-(cyclopropylmethyl)piperidin-4-yl]-N'-methylpenta-2,4-dienimidamide
SMILESC=C(/C=C\C(=N\C)Nc1ncc2c(C)c(C(C)=O)c(=O)n(C3CCCC3)c2n1)C1CCN(CC2CC2)CC1
InChIInChI=1S/C30H40N6O2/c1-19(23-13-15-35(16-14-23)18-22-10-11-22)9-12-26(31-4)33-30-32-17-25-20(2)27(21(3)37)29(38)36(28(25)34-30)24-7-5-6-8-24/h9,12,17,22-24H,1,5-8,10-11,13-16,18H2,2-4H3,(H,31,32,33,34)/b12-9-
InChIKeyVWDOJLFIJFQQKK-XFXZXTDPSA-N
MW516.69 g/mol
LogP5.09
Rot. Bonds8

About (2Z)-N-(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)-4-[1-(cyclopropylmethyl)piperidin-4-yl]-N'-methylpenta-2,4-dienimidamide

(2Z)-N-(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)-4-[1-(cyclopropylmethyl)piperidin-4-yl]-N'-methylpenta-2,4-dienimidamide (PubChem CID 144744643) has the molecular formula C30H40N6O2 and a molecular weight of 516.69 g/mol. Its IUPAC name is (2Z)-N-(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)-4-[1-(cyclopropylmethyl)piperidin-4-yl]-N'-methylpenta-2,4-dienimidamide.

Molecular Properties

Compound Name(2Z)-N-(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)-4-[1-(cyclopropylmethyl)piperidin-4-yl]-N'-methylpenta-2,4-dienimidamide
PubChem CID144744643
Molecular FormulaC30H40N6O2
Molecular Weight516.69 g/mol
Exact Mass516.32
IUPAC Name(2Z)-N-(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)-4-[1-(cyclopropylmethyl)piperidin-4-yl]-N'-methylpenta-2,4-dienimidamide
SMILESC=C(/C=C\C(=N\C)Nc1ncc2c(C)c(C(C)=O)c(=O)n(C3CCCC3)c2n1)C1CCN(CC2CC2)CC1
InChIInChI=1S/C30H40N6O2/c1-19(23-13-15-35(16-14-23)18-22-10-11-22)9-12-26(31-4)33-30-32-17-25-20(2)27(21(3)37)29(38)36(28(25)34-30)24-7-5-6-8-24/h9,12,17,22-24H,1,5-8,10-11,13-16,18H2,2-4H3,(H,31,32,33,34)/b12-9-
InChIKeyVWDOJLFIJFQQKK-XFXZXTDPSA-N
XLogP5.09
TPSA92.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.69
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2Z)-N-(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)-4-[1-(cyclopropylmethyl)piperidin-4-yl]-N'-methylpenta-2,4-dienimidamide?
The IUPAC name of (2Z)-N-(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)-4-[1-(cyclopropylmethyl)piperidin-4-yl]-N'-methylpenta-2,4-dienimidamide (CID 144744643) is (2Z)-N-(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)-4-[1-(cyclopropylmethyl)piperidin-4-yl]-N'-methylpenta-2,4-dienimidamide.
What is the SMILES notation for (2Z)-N-(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)-4-[1-(cyclopropylmethyl)piperidin-4-yl]-N'-methylpenta-2,4-dienimidamide?
The canonical SMILES for (2Z)-N-(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)-4-[1-(cyclopropylmethyl)piperidin-4-yl]-N'-methylpenta-2,4-dienimidamide is C=C(/C=C\C(=N\C)Nc1ncc2c(C)c(C(C)=O)c(=O)n(C3CCCC3)c2n1)C1CCN(CC2CC2)CC1.
What is the InChIKey of (2Z)-N-(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)-4-[1-(cyclopropylmethyl)piperidin-4-yl]-N'-methylpenta-2,4-dienimidamide?
The InChIKey is VWDOJLFIJFQQKK-XFXZXTDPSA-N. The full InChI is InChI=1S/C30H40N6O2/c1-19(23-13-15-35(16-14-23)18-22-10-11-22)9-12-26(31-4)33-30-32-17-25-20(2)27(21(3)37)29(38)36(28(25)34-30)24-7-5-6-8-24/h9,12,17,22-24H,1,5-8,10-11,13-16,18H2,2-4H3,(H,31,32,33,34)/b12-9-.
What are the key properties of (2Z)-N-(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)-4-[1-(cyclopropylmethyl)piperidin-4-yl]-N'-methylpenta-2,4-dienimidamide?
(2Z)-N-(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)-4-[1-(cyclopropylmethyl)piperidin-4-yl]-N'-methylpenta-2,4-dienimidamide has a molecular weight of 516.69 g/mol, XLogP of 5.09, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-N-(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)-4-[1-(cyclopropylmethyl)piperidin-4-yl]-N'-methylpenta-2,4-dienimidamide is sourced from PubChem (CID 144744643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).