N-[5-[4-(2-ethylhydrazinyl)piperazin-1-yl]-2-pyridinyl]-2-[2-(2-methyl-4-pyridinyl)pyrimidin-5-yl]acetamide

C23H29N9O — CID 172833764

IUPACN-[5-[4-(2-ethylhydrazinyl)piperazin-1-yl]-2-pyridinyl]-2-[2-(2-methyl-4-pyridinyl)pyrimidin-5-yl]acetamide
SMILESCCNNN1CCN(c2ccc(NC(=O)Cc3cnc(-c4ccnc(C)c4)nc3)nc2)CC1
InChIInChI=1S/C23H29N9O/c1-3-28-30-32-10-8-31(9-11-32)20-4-5-21(25-16-20)29-22(33)13-18-14-26-23(27-15-18)19-6-7-24-17(2)12-19/h4-7,12,14-16,28,30H,3,8-11,13H2,1-2H3,(H,25,29,33)
InChIKeyVWHJSXUOAXXRIK-UHFFFAOYSA-N
MW447.55 g/mol
LogP1.57
Rot. Bonds8

About N-[5-[4-(2-ethylhydrazinyl)piperazin-1-yl]-2-pyridinyl]-2-[2-(2-methyl-4-pyridinyl)pyrimidin-5-yl]acetamide

N-[5-[4-(2-ethylhydrazinyl)piperazin-1-yl]-2-pyridinyl]-2-[2-(2-methyl-4-pyridinyl)pyrimidin-5-yl]acetamide (PubChem CID 172833764) has the molecular formula C23H29N9O and a molecular weight of 447.55 g/mol. Its IUPAC name is N-[5-[4-(2-ethylhydrazinyl)piperazin-1-yl]-2-pyridinyl]-2-[2-(2-methyl-4-pyridinyl)pyrimidin-5-yl]acetamide.

Molecular Properties

Compound NameN-[5-[4-(2-ethylhydrazinyl)piperazin-1-yl]-2-pyridinyl]-2-[2-(2-methyl-4-pyridinyl)pyrimidin-5-yl]acetamide
PubChem CID172833764
Molecular FormulaC23H29N9O
Molecular Weight447.55 g/mol
Exact Mass447.25
IUPAC NameN-[5-[4-(2-ethylhydrazinyl)piperazin-1-yl]-2-pyridinyl]-2-[2-(2-methyl-4-pyridinyl)pyrimidin-5-yl]acetamide
SMILESCCNNN1CCN(c2ccc(NC(=O)Cc3cnc(-c4ccnc(C)c4)nc3)nc2)CC1
InChIInChI=1S/C23H29N9O/c1-3-28-30-32-10-8-31(9-11-32)20-4-5-21(25-16-20)29-22(33)13-18-14-26-23(27-15-18)19-6-7-24-17(2)12-19/h4-7,12,14-16,28,30H,3,8-11,13H2,1-2H3,(H,25,29,33)
InChIKeyVWHJSXUOAXXRIK-UHFFFAOYSA-N
XLogP1.57
TPSA111.20 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.55
LogP ≤ 51.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[5-[4-(2-ethylhydrazinyl)piperazin-1-yl]-2-pyridinyl]-2-[2-(2-methyl-4-pyridinyl)pyrimidin-5-yl]acetamide?
The IUPAC name of N-[5-[4-(2-ethylhydrazinyl)piperazin-1-yl]-2-pyridinyl]-2-[2-(2-methyl-4-pyridinyl)pyrimidin-5-yl]acetamide (CID 172833764) is N-[5-[4-(2-ethylhydrazinyl)piperazin-1-yl]-2-pyridinyl]-2-[2-(2-methyl-4-pyridinyl)pyrimidin-5-yl]acetamide.
What is the SMILES notation for N-[5-[4-(2-ethylhydrazinyl)piperazin-1-yl]-2-pyridinyl]-2-[2-(2-methyl-4-pyridinyl)pyrimidin-5-yl]acetamide?
The canonical SMILES for N-[5-[4-(2-ethylhydrazinyl)piperazin-1-yl]-2-pyridinyl]-2-[2-(2-methyl-4-pyridinyl)pyrimidin-5-yl]acetamide is CCNNN1CCN(c2ccc(NC(=O)Cc3cnc(-c4ccnc(C)c4)nc3)nc2)CC1.
What is the InChIKey of N-[5-[4-(2-ethylhydrazinyl)piperazin-1-yl]-2-pyridinyl]-2-[2-(2-methyl-4-pyridinyl)pyrimidin-5-yl]acetamide?
The InChIKey is VWHJSXUOAXXRIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N9O/c1-3-28-30-32-10-8-31(9-11-32)20-4-5-21(25-16-20)29-22(33)13-18-14-26-23(27-15-18)19-6-7-24-17(2)12-19/h4-7,12,14-16,28,30H,3,8-11,13H2,1-2H3,(H,25,29,33).
What are the key properties of N-[5-[4-(2-ethylhydrazinyl)piperazin-1-yl]-2-pyridinyl]-2-[2-(2-methyl-4-pyridinyl)pyrimidin-5-yl]acetamide?
N-[5-[4-(2-ethylhydrazinyl)piperazin-1-yl]-2-pyridinyl]-2-[2-(2-methyl-4-pyridinyl)pyrimidin-5-yl]acetamide has a molecular weight of 447.55 g/mol, XLogP of 1.57, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[4-(2-ethylhydrazinyl)piperazin-1-yl]-2-pyridinyl]-2-[2-(2-methyl-4-pyridinyl)pyrimidin-5-yl]acetamide is sourced from PubChem (CID 172833764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).