N'-acetyl-5-(2-chlorophenyl)-2-cyclopropyl-N'-pyridin-2-ylpyrimidine-4-carbohydrazide

C21H18ClN5O2 — CID 146449241

IUPACN'-acetyl-5-(2-chlorophenyl)-2-cyclopropyl-N'-pyridin-2-ylpyrimidine-4-carbohydrazide
SMILESCC(=O)N(NC(=O)c1nc(C2CC2)ncc1-c1ccccc1Cl)c1ccccn1
InChIInChI=1S/C21H18ClN5O2/c1-13(28)27(18-8-4-5-11-23-18)26-21(29)19-16(15-6-2-3-7-17(15)22)12-24-20(25-19)14-9-10-14/h2-8,11-12,14H,9-10H2,1H3,(H,26,29)
InChIKeyRZEJLTHHNFXSDQ-UHFFFAOYSA-N
MW407.86 g/mol
LogP3.77
Rot. Bonds4

About N'-acetyl-5-(2-chlorophenyl)-2-cyclopropyl-N'-pyridin-2-ylpyrimidine-4-carbohydrazide

N'-acetyl-5-(2-chlorophenyl)-2-cyclopropyl-N'-pyridin-2-ylpyrimidine-4-carbohydrazide (PubChem CID 146449241) has the molecular formula C21H18ClN5O2 and a molecular weight of 407.86 g/mol. Its IUPAC name is N'-acetyl-5-(2-chlorophenyl)-2-cyclopropyl-N'-pyridin-2-ylpyrimidine-4-carbohydrazide.

Molecular Properties

Compound NameN'-acetyl-5-(2-chlorophenyl)-2-cyclopropyl-N'-pyridin-2-ylpyrimidine-4-carbohydrazide
PubChem CID146449241
Molecular FormulaC21H18ClN5O2
Molecular Weight407.86 g/mol
Exact Mass407.11
IUPAC NameN'-acetyl-5-(2-chlorophenyl)-2-cyclopropyl-N'-pyridin-2-ylpyrimidine-4-carbohydrazide
SMILESCC(=O)N(NC(=O)c1nc(C2CC2)ncc1-c1ccccc1Cl)c1ccccn1
InChIInChI=1S/C21H18ClN5O2/c1-13(28)27(18-8-4-5-11-23-18)26-21(29)19-16(15-6-2-3-7-17(15)22)12-24-20(25-19)14-9-10-14/h2-8,11-12,14H,9-10H2,1H3,(H,26,29)
InChIKeyRZEJLTHHNFXSDQ-UHFFFAOYSA-N
XLogP3.77
TPSA88.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.86
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[[5-(2-chlorophenyl)-2-cyclopropylpyrimidine-4-carbonyl]amino]-N-methylcarbamate
CID 150588786
5-[5-(2-chlorophenyl)-2-cyclopropylpyrimidin-4-yl]-4-methyl-1,3-oxazole
CID 142606816
methyl 5-[5-(bromomethyl)-2-chlorophenyl]-2-cyclopropylpyrimidine-4-carboxylate
CID 137362179
3-[5-(2-chlorophenyl)-2-cyclopropylpyrimidin-4-yl]-5-methyl-1,2-oxazole
CID 170994469
4-[5-(2-chlorophenyl)-2-cyclopropylpyrimidin-4-yl]-1,3-thiazole
CID 170992532
5-chloro-2-cyclopropyl-N-[1-(2-pyridin-2-ylethyl)benzimidazol-2-yl]pyrimidine-4-carboxamide
CID 167806826
5-[5-(2-chlorophenyl)-2-cyclopropylpyrimidin-4-yl]-4-methyl-2-phenoxy-1,3-oxazole
CID 142606823
N'-[4-(2-chlorophenyl)-2-cyclopropylpyrimidin-5-yl]propane-1,3-diamine
CID 117211859
5-chloro-2-cyclohexylpyrimidine-4-carboxylic acid
CID 82168565
1-(2-chlorophenyl)-1-pyridin-2-ylurea
CID 141493026
6-(2-chlorophenyl)-2-cyclopropyl-5-methylpyrimidin-4-amine
CID 80975338
N'-[4-(2-chlorophenyl)-2-cyclobutylpyrimidin-5-yl]ethane-1,2-diamine
CID 117211824

Frequently Asked Questions

What is the IUPAC name of N'-acetyl-5-(2-chlorophenyl)-2-cyclopropyl-N'-pyridin-2-ylpyrimidine-4-carbohydrazide?
The IUPAC name of N'-acetyl-5-(2-chlorophenyl)-2-cyclopropyl-N'-pyridin-2-ylpyrimidine-4-carbohydrazide (CID 146449241) is N'-acetyl-5-(2-chlorophenyl)-2-cyclopropyl-N'-pyridin-2-ylpyrimidine-4-carbohydrazide.
What is the SMILES notation for N'-acetyl-5-(2-chlorophenyl)-2-cyclopropyl-N'-pyridin-2-ylpyrimidine-4-carbohydrazide?
The canonical SMILES for N'-acetyl-5-(2-chlorophenyl)-2-cyclopropyl-N'-pyridin-2-ylpyrimidine-4-carbohydrazide is CC(=O)N(NC(=O)c1nc(C2CC2)ncc1-c1ccccc1Cl)c1ccccn1.
What is the InChIKey of N'-acetyl-5-(2-chlorophenyl)-2-cyclopropyl-N'-pyridin-2-ylpyrimidine-4-carbohydrazide?
The InChIKey is RZEJLTHHNFXSDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClN5O2/c1-13(28)27(18-8-4-5-11-23-18)26-21(29)19-16(15-6-2-3-7-17(15)22)12-24-20(25-19)14-9-10-14/h2-8,11-12,14H,9-10H2,1H3,(H,26,29).
What are the key properties of N'-acetyl-5-(2-chlorophenyl)-2-cyclopropyl-N'-pyridin-2-ylpyrimidine-4-carbohydrazide?
N'-acetyl-5-(2-chlorophenyl)-2-cyclopropyl-N'-pyridin-2-ylpyrimidine-4-carbohydrazide has a molecular weight of 407.86 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-acetyl-5-(2-chlorophenyl)-2-cyclopropyl-N'-pyridin-2-ylpyrimidine-4-carbohydrazide is sourced from PubChem (CID 146449241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).