N-[(3Z)-3-amino-3-hydroxyiminopropyl]-2,2-dimethyl-N-(pyridin-3-ylmethyl)propanamide

C14H22N4O2 — CID 61135804

IUPACN-[(3Z)-3-amino-3-hydroxyiminopropyl]-2,2-dimethyl-N-(pyridin-3-ylmethyl)propanamide
SMILESCC(C)(C)C(=O)N(CC/C(N)=N/O)Cc1cccnc1
InChIInChI=1S/C14H22N4O2/c1-14(2,3)13(19)18(8-6-12(15)17-20)10-11-5-4-7-16-9-11/h4-5,7,9,20H,6,8,10H2,1-3H3,(H2,15,17)
InChIKeyNKJWAVOTSTWDIS-UHFFFAOYSA-N
MW278.36 g/mol
LogP1.59
Rot. Bonds5

About N-[(3Z)-3-amino-3-hydroxyiminopropyl]-2,2-dimethyl-N-(pyridin-3-ylmethyl)propanamide

N-[(3Z)-3-amino-3-hydroxyiminopropyl]-2,2-dimethyl-N-(pyridin-3-ylmethyl)propanamide (PubChem CID 61135804) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is N-[(3Z)-3-amino-3-hydroxyiminopropyl]-2,2-dimethyl-N-(pyridin-3-ylmethyl)propanamide.

Molecular Properties

Compound NameN-[(3Z)-3-amino-3-hydroxyiminopropyl]-2,2-dimethyl-N-(pyridin-3-ylmethyl)propanamide
PubChem CID61135804
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC NameN-[(3Z)-3-amino-3-hydroxyiminopropyl]-2,2-dimethyl-N-(pyridin-3-ylmethyl)propanamide
SMILESCC(C)(C)C(=O)N(CC/C(N)=N/O)Cc1cccnc1
InChIInChI=1S/C14H22N4O2/c1-14(2,3)13(19)18(8-6-12(15)17-20)10-11-5-4-7-16-9-11/h4-5,7,9,20H,6,8,10H2,1-3H3,(H2,15,17)
InChIKeyNKJWAVOTSTWDIS-UHFFFAOYSA-N
XLogP1.59
TPSA91.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(3Z)-3-amino-3-hydroxyiminopropyl]-2-cyclopropyl-N-(pyridin-3-ylmethyl)propanamide
CID 83150108
3-[(3-chloro-4-pyridinyl)-(pyridin-3-ylmethyl)amino]-N'-hydroxypropanimidamide
CID 79835452
2-[(Z)-N'-hydroxycarbamimidoyl]-N,2-dimethyl-N-(pyridin-3-ylmethyl)butanamide
CID 114292663
3-[propanoyl(pyridin-3-ylmethyl)amino]propanoic acid
CID 82323263
tert-butyl N-[2-(dimethylamino)ethyl]-N-(pyridin-3-ylmethyl)carbamate
CID 63788521
1-amino-1-(pyridin-3-ylmethyl)urea
CID 155026143
N-[2-(dimethylamino)ethyl]-N-(pyridin-3-ylmethyl)propanamide
CID 61243414
2,2-dimethyl-N-[(2-oxo-1H-quinolin-3-yl)methyl]-N-(pyridin-3-ylmethyl)propanamide
CID 4896654
3-[acetyl(pyridin-3-ylmethyl)amino]-N-[2-(dimethylamino)ethyl]propanamide
CID 113120356
(E)-4-[2-(dimethylamino)ethyl-(pyridin-3-ylmethyl)amino]-4-oxobut-2-enoic acid
CID 60951962
1-(3-aminopropyl)-3,3-diethyl-1-(pyridin-3-ylmethyl)urea
CID 79153559
N'-hydroxy-3-[propan-2-yl(pyridin-3-ylsulfonyl)amino]propanimidamide
CID 54996530

Frequently Asked Questions

What is the IUPAC name of N-[(3Z)-3-amino-3-hydroxyiminopropyl]-2,2-dimethyl-N-(pyridin-3-ylmethyl)propanamide?
The IUPAC name of N-[(3Z)-3-amino-3-hydroxyiminopropyl]-2,2-dimethyl-N-(pyridin-3-ylmethyl)propanamide (CID 61135804) is N-[(3Z)-3-amino-3-hydroxyiminopropyl]-2,2-dimethyl-N-(pyridin-3-ylmethyl)propanamide.
What is the SMILES notation for N-[(3Z)-3-amino-3-hydroxyiminopropyl]-2,2-dimethyl-N-(pyridin-3-ylmethyl)propanamide?
The canonical SMILES for N-[(3Z)-3-amino-3-hydroxyiminopropyl]-2,2-dimethyl-N-(pyridin-3-ylmethyl)propanamide is CC(C)(C)C(=O)N(CC/C(N)=N/O)Cc1cccnc1.
What is the InChIKey of N-[(3Z)-3-amino-3-hydroxyiminopropyl]-2,2-dimethyl-N-(pyridin-3-ylmethyl)propanamide?
The InChIKey is NKJWAVOTSTWDIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-14(2,3)13(19)18(8-6-12(15)17-20)10-11-5-4-7-16-9-11/h4-5,7,9,20H,6,8,10H2,1-3H3,(H2,15,17).
What are the key properties of N-[(3Z)-3-amino-3-hydroxyiminopropyl]-2,2-dimethyl-N-(pyridin-3-ylmethyl)propanamide?
N-[(3Z)-3-amino-3-hydroxyiminopropyl]-2,2-dimethyl-N-(pyridin-3-ylmethyl)propanamide has a molecular weight of 278.36 g/mol, XLogP of 1.59, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3Z)-3-amino-3-hydroxyiminopropyl]-2,2-dimethyl-N-(pyridin-3-ylmethyl)propanamide is sourced from PubChem (CID 61135804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).