(2S)-2-(naphthalen-1-ylamino)-N-(pyridin-4-ylmethylideneamino)butanamide

C20H20N4O — CID 129440355

IUPAC(2S)-2-(naphthalen-1-ylamino)-N-(pyridin-4-ylmethylideneamino)butanamide
SMILESCC[C@H](Nc1cccc2ccccc12)C(=O)NN=Cc1ccncc1
InChIInChI=1S/C20H20N4O/c1-2-18(20(25)24-22-14-15-10-12-21-13-11-15)23-19-9-5-7-16-6-3-4-8-17(16)19/h3-14,18,23H,2H2,1H3,(H,24,25)/t18-/m0/s1
InChIKeySBCZTPJBNQKMGB-SFHVURJKSA-N
MW332.41 g/mol
LogP3.58
Rot. Bonds6

About (2S)-2-(naphthalen-1-ylamino)-N-(pyridin-4-ylmethylideneamino)butanamide

(2S)-2-(naphthalen-1-ylamino)-N-(pyridin-4-ylmethylideneamino)butanamide (PubChem CID 129440355) has the molecular formula C20H20N4O and a molecular weight of 332.41 g/mol. Its IUPAC name is (2S)-2-(naphthalen-1-ylamino)-N-(pyridin-4-ylmethylideneamino)butanamide.

Molecular Properties

Compound Name(2S)-2-(naphthalen-1-ylamino)-N-(pyridin-4-ylmethylideneamino)butanamide
PubChem CID129440355
Molecular FormulaC20H20N4O
Molecular Weight332.41 g/mol
Exact Mass332.16
IUPAC Name(2S)-2-(naphthalen-1-ylamino)-N-(pyridin-4-ylmethylideneamino)butanamide
SMILESCC[C@H](Nc1cccc2ccccc12)C(=O)NN=Cc1ccncc1
InChIInChI=1S/C20H20N4O/c1-2-18(20(25)24-22-14-15-10-12-21-13-11-15)23-19-9-5-7-16-6-3-4-8-17(16)19/h3-14,18,23H,2H2,1H3,(H,24,25)/t18-/m0/s1
InChIKeySBCZTPJBNQKMGB-SFHVURJKSA-N
XLogP3.58
TPSA66.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 53.58
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 (2S)-2-(naphthalen-1-ylamino)-N-(pyridin-4-ylmethylideneamino)butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-N-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]-2-(naphthalen-1-ylamino)butanamide
CID 135688422
2-(naphthalen-1-ylamino)butanoic acid
CID 64667732
2-methyl-N-(pyridin-4-ylmethylideneamino)propanamide
CID 54421020
2-(4-iodoanilino)-N-[(E)-naphthalen-2-ylmethylideneamino]butanamide
CID 19579432
N-[(Z)-pyridin-4-ylmethylideneamino]propanamide
CID 29172527
2-anilino-N-[(3-bromophenyl)methylideneamino]butanamide
CID 5206245
N'-[(4-methylphenyl)methylideneamino]-N-naphthalen-1-ylbutanediamide
CID 5078091
1-[(Z)-pyridin-4-ylmethylideneamino]-3-[(E)-pyridin-4-ylmethylideneamino]urea
CID 54600785
N-[(E)-pyridin-4-ylmethylideneamino]hexadecanamide
CID 45055038
(2S)-N-[(Z)-1H-indol-3-ylmethylideneamino]-2-(naphthalen-1-ylamino)propanamide
CID 136720604
ethyl N-[(E)-pyridin-4-ylmethylideneamino]carbamate
CID 5365476
(2S)-2-naphthalen-1-yloxy-N-[(Z)-pyridin-3-ylmethylideneamino]propanamide
CID 5393557

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(naphthalen-1-ylamino)-N-(pyridin-4-ylmethylideneamino)butanamide?
The IUPAC name of (2S)-2-(naphthalen-1-ylamino)-N-(pyridin-4-ylmethylideneamino)butanamide (CID 129440355) is (2S)-2-(naphthalen-1-ylamino)-N-(pyridin-4-ylmethylideneamino)butanamide.
What is the SMILES notation for (2S)-2-(naphthalen-1-ylamino)-N-(pyridin-4-ylmethylideneamino)butanamide?
The canonical SMILES for (2S)-2-(naphthalen-1-ylamino)-N-(pyridin-4-ylmethylideneamino)butanamide is CC[C@H](Nc1cccc2ccccc12)C(=O)NN=Cc1ccncc1.
What is the InChIKey of (2S)-2-(naphthalen-1-ylamino)-N-(pyridin-4-ylmethylideneamino)butanamide?
The InChIKey is SBCZTPJBNQKMGB-SFHVURJKSA-N. The full InChI is InChI=1S/C20H20N4O/c1-2-18(20(25)24-22-14-15-10-12-21-13-11-15)23-19-9-5-7-16-6-3-4-8-17(16)19/h3-14,18,23H,2H2,1H3,(H,24,25)/t18-/m0/s1.
What are the key properties of (2S)-2-(naphthalen-1-ylamino)-N-(pyridin-4-ylmethylideneamino)butanamide?
(2S)-2-(naphthalen-1-ylamino)-N-(pyridin-4-ylmethylideneamino)butanamide has a molecular weight of 332.41 g/mol, XLogP of 3.58, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(naphthalen-1-ylamino)-N-(pyridin-4-ylmethylideneamino)butanamide is sourced from PubChem (CID 129440355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).