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

C15H22N4O2 — CID 83150108

IUPACN-[(3Z)-3-amino-3-hydroxyiminopropyl]-2-cyclopropyl-N-(pyridin-3-ylmethyl)propanamide
SMILESCC(C(=O)N(CC/C(N)=N/O)Cc1cccnc1)C1CC1
InChIInChI=1S/C15H22N4O2/c1-11(13-4-5-13)15(20)19(8-6-14(16)18-21)10-12-3-2-7-17-9-12/h2-3,7,9,11,13,21H,4-6,8,10H2,1H3,(H2,16,18)
InChIKeyNMRWGUSMNKUNAH-UHFFFAOYSA-N
MW290.37 g/mol
LogP1.59
Rot. Bonds7

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

N-[(3Z)-3-amino-3-hydroxyiminopropyl]-2-cyclopropyl-N-(pyridin-3-ylmethyl)propanamide (PubChem CID 83150108) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is N-[(3Z)-3-amino-3-hydroxyiminopropyl]-2-cyclopropyl-N-(pyridin-3-ylmethyl)propanamide.

Molecular Properties

Compound NameN-[(3Z)-3-amino-3-hydroxyiminopropyl]-2-cyclopropyl-N-(pyridin-3-ylmethyl)propanamide
PubChem CID83150108
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC NameN-[(3Z)-3-amino-3-hydroxyiminopropyl]-2-cyclopropyl-N-(pyridin-3-ylmethyl)propanamide
SMILESCC(C(=O)N(CC/C(N)=N/O)Cc1cccnc1)C1CC1
InChIInChI=1S/C15H22N4O2/c1-11(13-4-5-13)15(20)19(8-6-14(16)18-21)10-12-3-2-7-17-9-12/h2-3,7,9,11,13,21H,4-6,8,10H2,1H3,(H2,16,18)
InChIKeyNMRWGUSMNKUNAH-UHFFFAOYSA-N
XLogP1.59
TPSA91.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
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]-2,2-dimethyl-N-(pyridin-3-ylmethyl)propanamide
CID 61135804
2-cyclopropyl-N-phenyl-N-(pyridin-3-ylmethyl)propanamide
CID 110613046
3-amino-N-[2-(dimethylamino)ethyl]-2-methyl-N-(pyridin-3-ylmethyl)propanamide
CID 62670710
2-bromo-N-[2-(dimethylamino)ethyl]-N-(pyridin-3-ylmethyl)propanamide
CID 107904634
N-(3-amino-3-hydroxyiminopropyl)-N,2-dicyclopropylpropanamide
CID 83147861
(2S,3S)-2-amino-N-[2-(dimethylamino)ethyl]-3-methyl-N-(pyridin-3-ylmethyl)pentanamide
CID 61162699
4-[cyclopropyl(pyridin-3-ylmethyl)amino]-2,3-dimethyl-4-oxobutanoic acid
CID 103497568
3-[(3-chloro-4-pyridinyl)-(pyridin-3-ylmethyl)amino]-N'-hydroxypropanimidamide
CID 79835452
3-amino-4-[2-(dimethylamino)ethyl-(pyridin-3-ylmethyl)amino]-4-oxobutanoic acid
CID 64896517
3-[propanoyl(pyridin-3-ylmethyl)amino]propanoic acid
CID 82323263
2-bromo-N-cyclopropyl-3-methyl-N-(pyridin-3-ylmethyl)butanamide
CID 54874663
N-(3-amino-3-sulfanylidenepropyl)-N-(pyridin-3-ylmethyl)thiadiazole-4-carboxamide
CID 65216045

Frequently Asked Questions

What is the IUPAC name of N-[(3Z)-3-amino-3-hydroxyiminopropyl]-2-cyclopropyl-N-(pyridin-3-ylmethyl)propanamide?
The IUPAC name of N-[(3Z)-3-amino-3-hydroxyiminopropyl]-2-cyclopropyl-N-(pyridin-3-ylmethyl)propanamide (CID 83150108) is N-[(3Z)-3-amino-3-hydroxyiminopropyl]-2-cyclopropyl-N-(pyridin-3-ylmethyl)propanamide.
What is the SMILES notation for N-[(3Z)-3-amino-3-hydroxyiminopropyl]-2-cyclopropyl-N-(pyridin-3-ylmethyl)propanamide?
The canonical SMILES for N-[(3Z)-3-amino-3-hydroxyiminopropyl]-2-cyclopropyl-N-(pyridin-3-ylmethyl)propanamide is CC(C(=O)N(CC/C(N)=N/O)Cc1cccnc1)C1CC1.
What is the InChIKey of N-[(3Z)-3-amino-3-hydroxyiminopropyl]-2-cyclopropyl-N-(pyridin-3-ylmethyl)propanamide?
The InChIKey is NMRWGUSMNKUNAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-11(13-4-5-13)15(20)19(8-6-14(16)18-21)10-12-3-2-7-17-9-12/h2-3,7,9,11,13,21H,4-6,8,10H2,1H3,(H2,16,18).
What are the key properties of N-[(3Z)-3-amino-3-hydroxyiminopropyl]-2-cyclopropyl-N-(pyridin-3-ylmethyl)propanamide?
N-[(3Z)-3-amino-3-hydroxyiminopropyl]-2-cyclopropyl-N-(pyridin-3-ylmethyl)propanamide has a molecular weight of 290.37 g/mol, XLogP of 1.59, 7 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-cyclopropyl-N-(pyridin-3-ylmethyl)propanamide is sourced from PubChem (CID 83150108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).