N-[(E)-[4-[[(2R)-butan-2-yl]amino]-4-oxobutan-2-ylidene]amino]pyridine-4-carboxamide

C14H20N4O2 — CID 98157343

IUPACN-[(E)-[4-[[(2R)-butan-2-yl]amino]-4-oxobutan-2-ylidene]amino]pyridine-4-carboxamide
SMILESCC[C@@H](C)NC(=O)C/C(C)=N/NC(=O)c1ccncc1
InChIInChI=1S/C14H20N4O2/c1-4-10(2)16-13(19)9-11(3)17-18-14(20)12-5-7-15-8-6-12/h5-8,10H,4,9H2,1-3H3,(H,16,19)(H,18,20)/b17-11+/t10-/m1/s1
InChIKeyLKAPBHIIIYLMAI-SIPGVVJPSA-N
MW276.34 g/mol
LogP1.49
Rot. Bonds6

About N-[(E)-[4-[[(2R)-butan-2-yl]amino]-4-oxobutan-2-ylidene]amino]pyridine-4-carboxamide

N-[(E)-[4-[[(2R)-butan-2-yl]amino]-4-oxobutan-2-ylidene]amino]pyridine-4-carboxamide (PubChem CID 98157343) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is N-[(E)-[4-[[(2R)-butan-2-yl]amino]-4-oxobutan-2-ylidene]amino]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(E)-[4-[[(2R)-butan-2-yl]amino]-4-oxobutan-2-ylidene]amino]pyridine-4-carboxamide
PubChem CID98157343
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC NameN-[(E)-[4-[[(2R)-butan-2-yl]amino]-4-oxobutan-2-ylidene]amino]pyridine-4-carboxamide
SMILESCC[C@@H](C)NC(=O)C/C(C)=N/NC(=O)c1ccncc1
InChIInChI=1S/C14H20N4O2/c1-4-10(2)16-13(19)9-11(3)17-18-14(20)12-5-7-15-8-6-12/h5-8,10H,4,9H2,1-3H3,(H,16,19)(H,18,20)/b17-11+/t10-/m1/s1
InChIKeyLKAPBHIIIYLMAI-SIPGVVJPSA-N
XLogP1.49
TPSA83.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[(E)-[4-[[(2R)-butan-2-yl]amino]-4-oxobutan-2-ylidene]amino]pyridine-4-carboxamide with MolForge

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Related Compounds

N-[(Z)-[4-[[(2R)-butan-2-yl]amino]-4-oxobutan-2-ylidene]amino]-4-iodobenzamide
CID 7226939
N-[(Z)-pentan-2-ylideneamino]pyridine-4-carboxamide
CID 6114549
N-[(Z)-[4-(butan-2-ylamino)-4-oxobutan-2-ylidene]amino]-2-methylbenzamide
CID 46501812
N-[(E)-[4-(4-bromoanilino)-4-oxobutan-2-ylidene]amino]pyridine-4-carboxamide
CID 6085415
N-[(Z)-[4-[[(2R)-butan-2-yl]amino]-4-oxobutan-2-ylidene]amino]-3-chloro-4-nitrobenzamide
CID 7224803
N-butan-2-yl-3-(2-methylpropanoylhydrazinylidene)butanamide
CID 5019181
N-(2-methylpentan-3-ylideneamino)pyridine-4-carboxamide
CID 84902461
N-[(E)-1-pyridin-4-ylethylideneamino]pyridine-4-carboxamide
CID 5402716
N-[[4-[2-(4-methoxyphenyl)ethylamino]-4-oxobutan-2-ylidene]amino]pyridine-4-carboxamide
CID 4585260
N'-[[4-[[(2R)-butan-2-yl]amino]-4-oxobutan-2-ylidene]amino]-N-(3-chloro-4-methylphenyl)oxamide
CID 129441113
N-pentan-3-ylpyridine-4-carboxamide
CID 137320352
N-[(2S)-butan-2-yl]-2-pyridin-4-ylsulfanylacetamide
CID 94102095

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[4-[[(2R)-butan-2-yl]amino]-4-oxobutan-2-ylidene]amino]pyridine-4-carboxamide?
The IUPAC name of N-[(E)-[4-[[(2R)-butan-2-yl]amino]-4-oxobutan-2-ylidene]amino]pyridine-4-carboxamide (CID 98157343) is N-[(E)-[4-[[(2R)-butan-2-yl]amino]-4-oxobutan-2-ylidene]amino]pyridine-4-carboxamide.
What is the SMILES notation for N-[(E)-[4-[[(2R)-butan-2-yl]amino]-4-oxobutan-2-ylidene]amino]pyridine-4-carboxamide?
The canonical SMILES for N-[(E)-[4-[[(2R)-butan-2-yl]amino]-4-oxobutan-2-ylidene]amino]pyridine-4-carboxamide is CC[C@@H](C)NC(=O)C/C(C)=N/NC(=O)c1ccncc1.
What is the InChIKey of N-[(E)-[4-[[(2R)-butan-2-yl]amino]-4-oxobutan-2-ylidene]amino]pyridine-4-carboxamide?
The InChIKey is LKAPBHIIIYLMAI-SIPGVVJPSA-N. The full InChI is InChI=1S/C14H20N4O2/c1-4-10(2)16-13(19)9-11(3)17-18-14(20)12-5-7-15-8-6-12/h5-8,10H,4,9H2,1-3H3,(H,16,19)(H,18,20)/b17-11+/t10-/m1/s1.
What are the key properties of N-[(E)-[4-[[(2R)-butan-2-yl]amino]-4-oxobutan-2-ylidene]amino]pyridine-4-carboxamide?
N-[(E)-[4-[[(2R)-butan-2-yl]amino]-4-oxobutan-2-ylidene]amino]pyridine-4-carboxamide has a molecular weight of 276.34 g/mol, XLogP of 1.49, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[4-[[(2R)-butan-2-yl]amino]-4-oxobutan-2-ylidene]amino]pyridine-4-carboxamide is sourced from PubChem (CID 98157343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).