N-[2-[2-(4-tert-butylbenzoyl)hydrazinyl]-2-oxoethyl]-4-chloropyridine-2-carboxamide

C19H21ClN4O3 — CID 9327506

IUPACN-[2-[2-(4-tert-butylbenzoyl)hydrazinyl]-2-oxoethyl]-4-chloropyridine-2-carboxamide
SMILESCC(C)(C)c1ccc(C(=O)NNC(=O)CNC(=O)c2cc(Cl)ccn2)cc1
InChIInChI=1S/C19H21ClN4O3/c1-19(2,3)13-6-4-12(5-7-13)17(26)24-23-16(25)11-22-18(27)15-10-14(20)8-9-21-15/h4-10H,11H2,1-3H3,(H,22,27)(H,23,25)(H,24,26)
InChIKeyMGGKWSVQEBDMEJ-UHFFFAOYSA-N
MW388.86 g/mol
LogP2.22
Rot. Bonds4

About N-[2-[2-(4-tert-butylbenzoyl)hydrazinyl]-2-oxoethyl]-4-chloropyridine-2-carboxamide

N-[2-[2-(4-tert-butylbenzoyl)hydrazinyl]-2-oxoethyl]-4-chloropyridine-2-carboxamide (PubChem CID 9327506) has the molecular formula C19H21ClN4O3 and a molecular weight of 388.86 g/mol. Its IUPAC name is N-[2-[2-(4-tert-butylbenzoyl)hydrazinyl]-2-oxoethyl]-4-chloropyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-[2-(4-tert-butylbenzoyl)hydrazinyl]-2-oxoethyl]-4-chloropyridine-2-carboxamide
PubChem CID9327506
Molecular FormulaC19H21ClN4O3
Molecular Weight388.86 g/mol
Exact Mass388.13
IUPAC NameN-[2-[2-(4-tert-butylbenzoyl)hydrazinyl]-2-oxoethyl]-4-chloropyridine-2-carboxamide
SMILESCC(C)(C)c1ccc(C(=O)NNC(=O)CNC(=O)c2cc(Cl)ccn2)cc1
InChIInChI=1S/C19H21ClN4O3/c1-19(2,3)13-6-4-12(5-7-13)17(26)24-23-16(25)11-22-18(27)15-10-14(20)8-9-21-15/h4-10H,11H2,1-3H3,(H,22,27)(H,23,25)(H,24,26)
InChIKeyMGGKWSVQEBDMEJ-UHFFFAOYSA-N
XLogP2.22
TPSA100.19 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.86
LogP ≤ 52.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-N-[2-[2-(4-methylbenzoyl)hydrazinyl]-2-oxoethyl]pyridine-2-carboxamide
CID 9366395
4-chloro-N-[2-[2-(4-hexoxybenzoyl)hydrazinyl]-2-oxoethyl]pyridine-2-carboxamide
CID 24540209
N-[2-[2-(4-tert-butylbenzoyl)hydrazinyl]-2-oxoethyl]-3-chlorobenzamide
CID 24634953
[2-(4-tert-butylanilino)-2-oxoethyl] 2-[(4-chloropyridine-2-carbonyl)amino]acetate
CID 8820693
4-chloro-N-[2-(4-chloroanilino)-2-oxoethyl]pyridine-2-carboxamide
CID 9068732
4-tert-butyl-N-[2-[2-[2-(4-chlorophenyl)acetyl]hydrazinyl]-2-oxoethyl]benzamide
CID 26657294
4-chloro-N-(2,2-dimethylbutyl)pyridine-2-carboxamide
CID 103461085
methyl 3-[[2-[(4-chloropyridine-2-carbonyl)amino]acetyl]amino]-4-methylbenzoate
CID 9378201
4-chloro-N-[2-(cyclopropylmethylamino)-2-oxoethyl]pyridine-2-carboxamide
CID 24667080
4-chloro-N-[2-(3-methylanilino)-2-oxoethyl]pyridine-2-carboxamide
CID 9039107
4-chloro-N'-(3,4,5-triethoxybenzoyl)pyridine-2-carbohydrazide
CID 34976901
4-chloro-N-[2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl]pyridine-2-carboxamide
CID 9268867

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(4-tert-butylbenzoyl)hydrazinyl]-2-oxoethyl]-4-chloropyridine-2-carboxamide?
The IUPAC name of N-[2-[2-(4-tert-butylbenzoyl)hydrazinyl]-2-oxoethyl]-4-chloropyridine-2-carboxamide (CID 9327506) is N-[2-[2-(4-tert-butylbenzoyl)hydrazinyl]-2-oxoethyl]-4-chloropyridine-2-carboxamide.
What is the SMILES notation for N-[2-[2-(4-tert-butylbenzoyl)hydrazinyl]-2-oxoethyl]-4-chloropyridine-2-carboxamide?
The canonical SMILES for N-[2-[2-(4-tert-butylbenzoyl)hydrazinyl]-2-oxoethyl]-4-chloropyridine-2-carboxamide is CC(C)(C)c1ccc(C(=O)NNC(=O)CNC(=O)c2cc(Cl)ccn2)cc1.
What is the InChIKey of N-[2-[2-(4-tert-butylbenzoyl)hydrazinyl]-2-oxoethyl]-4-chloropyridine-2-carboxamide?
The InChIKey is MGGKWSVQEBDMEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN4O3/c1-19(2,3)13-6-4-12(5-7-13)17(26)24-23-16(25)11-22-18(27)15-10-14(20)8-9-21-15/h4-10H,11H2,1-3H3,(H,22,27)(H,23,25)(H,24,26).
What are the key properties of N-[2-[2-(4-tert-butylbenzoyl)hydrazinyl]-2-oxoethyl]-4-chloropyridine-2-carboxamide?
N-[2-[2-(4-tert-butylbenzoyl)hydrazinyl]-2-oxoethyl]-4-chloropyridine-2-carboxamide has a molecular weight of 388.86 g/mol, XLogP of 2.22, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(4-tert-butylbenzoyl)hydrazinyl]-2-oxoethyl]-4-chloropyridine-2-carboxamide is sourced from PubChem (CID 9327506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).