N-[3-(butan-2-ylamino)-3-oxopropyl]-2-hydrazinylpyridine-3-carboxamide

C13H21N5O2 — CID 62242210

IUPACN-[3-(butan-2-ylamino)-3-oxopropyl]-2-hydrazinylpyridine-3-carboxamide
SMILESCCC(C)NC(=O)CCNC(=O)c1cccnc1NN
InChIInChI=1S/C13H21N5O2/c1-3-9(2)17-11(19)6-8-16-13(20)10-5-4-7-15-12(10)18-14/h4-5,7,9H,3,6,8,14H2,1-2H3,(H,15,18)(H,16,20)(H,17,19)
InChIKeyRAQGVCJHSGWORX-UHFFFAOYSA-N
MW279.34 g/mol
LogP0.40
Rot. Bonds7

About N-[3-(butan-2-ylamino)-3-oxopropyl]-2-hydrazinylpyridine-3-carboxamide

N-[3-(butan-2-ylamino)-3-oxopropyl]-2-hydrazinylpyridine-3-carboxamide (PubChem CID 62242210) has the molecular formula C13H21N5O2 and a molecular weight of 279.34 g/mol. Its IUPAC name is N-[3-(butan-2-ylamino)-3-oxopropyl]-2-hydrazinylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(butan-2-ylamino)-3-oxopropyl]-2-hydrazinylpyridine-3-carboxamide
PubChem CID62242210
Molecular FormulaC13H21N5O2
Molecular Weight279.34 g/mol
Exact Mass279.17
IUPAC NameN-[3-(butan-2-ylamino)-3-oxopropyl]-2-hydrazinylpyridine-3-carboxamide
SMILESCCC(C)NC(=O)CCNC(=O)c1cccnc1NN
InChIInChI=1S/C13H21N5O2/c1-3-9(2)17-11(19)6-8-16-13(20)10-5-4-7-15-12(10)18-14/h4-5,7,9H,3,6,8,14H2,1-2H3,(H,15,18)(H,16,20)(H,17,19)
InChIKeyRAQGVCJHSGWORX-UHFFFAOYSA-N
XLogP0.40
TPSA109.14 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 50.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-N-[3-(butan-2-ylamino)-3-oxopropyl]-2-hydrazinylpyridine-3-carboxamide
CID 62242574
N-[3-(butan-2-ylamino)-3-oxopropyl]-2,3-dihydroxybenzamide
CID 114344226
N-butan-2-yl-3-[(3-fluoro-2-pyridinyl)amino]propanamide
CID 62735284
2-hydrazinyl-N-(5-methylhexyl)pyridine-3-carboxamide
CID 115327334
N-[3-(butan-2-ylamino)-3-oxopropyl]-2-iodobenzamide
CID 61150251
2-hydrazinyl-N-(2-methylpentan-3-yl)pyridine-3-carboxamide
CID 62248528
3-amino-N-[3-(butan-2-ylamino)-3-oxopropyl]-2-methylbenzamide
CID 61140590
N-[3-(butan-2-ylamino)-3-oxopropyl]-2-fluoro-3-methylbenzamide
CID 80718445
N-(3-ethoxypropyl)-2-hydrazinylpyridine-3-carboxamide
CID 62243078
N-[3-(dimethylamino)propyl]-2-hydrazinylpyridine-3-carboxamide
CID 60920879
N-[3-(butan-2-ylamino)-3-oxopropyl]-3-fluoro-2-(methylamino)benzamide
CID 62662116
2-(ethylamino)-N-[3-oxo-3-(propylamino)propyl]pyridine-3-carboxamide
CID 62178636

Frequently Asked Questions

What is the IUPAC name of N-[3-(butan-2-ylamino)-3-oxopropyl]-2-hydrazinylpyridine-3-carboxamide?
The IUPAC name of N-[3-(butan-2-ylamino)-3-oxopropyl]-2-hydrazinylpyridine-3-carboxamide (CID 62242210) is N-[3-(butan-2-ylamino)-3-oxopropyl]-2-hydrazinylpyridine-3-carboxamide.
What is the SMILES notation for N-[3-(butan-2-ylamino)-3-oxopropyl]-2-hydrazinylpyridine-3-carboxamide?
The canonical SMILES for N-[3-(butan-2-ylamino)-3-oxopropyl]-2-hydrazinylpyridine-3-carboxamide is CCC(C)NC(=O)CCNC(=O)c1cccnc1NN.
What is the InChIKey of N-[3-(butan-2-ylamino)-3-oxopropyl]-2-hydrazinylpyridine-3-carboxamide?
The InChIKey is RAQGVCJHSGWORX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O2/c1-3-9(2)17-11(19)6-8-16-13(20)10-5-4-7-15-12(10)18-14/h4-5,7,9H,3,6,8,14H2,1-2H3,(H,15,18)(H,16,20)(H,17,19).
What are the key properties of N-[3-(butan-2-ylamino)-3-oxopropyl]-2-hydrazinylpyridine-3-carboxamide?
N-[3-(butan-2-ylamino)-3-oxopropyl]-2-hydrazinylpyridine-3-carboxamide has a molecular weight of 279.34 g/mol, XLogP of 0.40, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(butan-2-ylamino)-3-oxopropyl]-2-hydrazinylpyridine-3-carboxamide is sourced from PubChem (CID 62242210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).