N-[2-[cyclopropyl-[(2-propan-2-yloxy-4-pyridinyl)methyl]amino]-2-oxoethyl]-N-ethylprop-2-enamide

C19H27N3O3 — CID 166407618

IUPACN-[2-[cyclopropyl-[(2-propan-2-yloxy-4-pyridinyl)methyl]amino]-2-oxoethyl]-N-ethylprop-2-enamide
SMILESC=CC(=O)N(CC)CC(=O)N(Cc1ccnc(OC(C)C)c1)C1CC1
InChIInChI=1S/C19H27N3O3/c1-5-18(23)21(6-2)13-19(24)22(16-7-8-16)12-15-9-10-20-17(11-15)25-14(3)4/h5,9-11,14,16H,1,6-8,12-13H2,2-4H3
InChIKeyMMRHIVVFKXOSKY-UHFFFAOYSA-N
MW345.44 g/mol
LogP2.39
Rot. Bonds9

About N-[2-[cyclopropyl-[(2-propan-2-yloxy-4-pyridinyl)methyl]amino]-2-oxoethyl]-N-ethylprop-2-enamide

N-[2-[cyclopropyl-[(2-propan-2-yloxy-4-pyridinyl)methyl]amino]-2-oxoethyl]-N-ethylprop-2-enamide (PubChem CID 166407618) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is N-[2-[cyclopropyl-[(2-propan-2-yloxy-4-pyridinyl)methyl]amino]-2-oxoethyl]-N-ethylprop-2-enamide.

Molecular Properties

Compound NameN-[2-[cyclopropyl-[(2-propan-2-yloxy-4-pyridinyl)methyl]amino]-2-oxoethyl]-N-ethylprop-2-enamide
PubChem CID166407618
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC NameN-[2-[cyclopropyl-[(2-propan-2-yloxy-4-pyridinyl)methyl]amino]-2-oxoethyl]-N-ethylprop-2-enamide
SMILESC=CC(=O)N(CC)CC(=O)N(Cc1ccnc(OC(C)C)c1)C1CC1
InChIInChI=1S/C19H27N3O3/c1-5-18(23)21(6-2)13-19(24)22(16-7-8-16)12-15-9-10-20-17(11-15)25-14(3)4/h5,9-11,14,16H,1,6-8,12-13H2,2-4H3
InChIKeyMMRHIVVFKXOSKY-UHFFFAOYSA-N
XLogP2.39
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-amino-N-cyclopropyl-N-[(2-propan-2-yloxy-4-pyridinyl)methyl]propanamide
CID 99704294
N-[2-[cyclopropyl-(2-hydroxy-2-methylpropyl)amino]-2-oxoethyl]-N-ethylprop-2-enamide
CID 167800664
ethyl (2S)-2-[[4-(bromomethyl)-2-pyridinyl]oxy]propanoate
CID 86732635
(2S)-2-amino-N-[(2-bromo-4-pyridinyl)methyl]-N-cyclopropylpropanamide
CID 66568596
4-[2-methoxy-2-[1-methoxy-2-(2-propan-2-yloxy-4-pyridinyl)ethoxy]ethyl]-2-propan-2-yloxypyridine
CID 69013905
N-benzyl-N-cyclopropylprop-2-enamide
CID 43616578
N-cyclopropyl-N-ethylprop-2-enamide
CID 43616584
(3R)-3-amino-N-cyclopropyl-N-(pyridin-4-ylmethyl)butanamide
CID 93368626
3-[(2-butan-2-yloxypyridine-4-carbonyl)-cyclopropylamino]-2-methylpropanoic acid
CID 120535265
N-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]propanamide
CID 61061495
4-[[cyclopropyl(ethyl)amino]methyl]pyridine-2-carboxylic acid
CID 63883028
N-cyclopropyl-2-(propan-2-ylamino)-N-(pyridin-4-ylmethyl)acetamide
CID 54869747

Frequently Asked Questions

What is the IUPAC name of N-[2-[cyclopropyl-[(2-propan-2-yloxy-4-pyridinyl)methyl]amino]-2-oxoethyl]-N-ethylprop-2-enamide?
The IUPAC name of N-[2-[cyclopropyl-[(2-propan-2-yloxy-4-pyridinyl)methyl]amino]-2-oxoethyl]-N-ethylprop-2-enamide (CID 166407618) is N-[2-[cyclopropyl-[(2-propan-2-yloxy-4-pyridinyl)methyl]amino]-2-oxoethyl]-N-ethylprop-2-enamide.
What is the SMILES notation for N-[2-[cyclopropyl-[(2-propan-2-yloxy-4-pyridinyl)methyl]amino]-2-oxoethyl]-N-ethylprop-2-enamide?
The canonical SMILES for N-[2-[cyclopropyl-[(2-propan-2-yloxy-4-pyridinyl)methyl]amino]-2-oxoethyl]-N-ethylprop-2-enamide is C=CC(=O)N(CC)CC(=O)N(Cc1ccnc(OC(C)C)c1)C1CC1.
What is the InChIKey of N-[2-[cyclopropyl-[(2-propan-2-yloxy-4-pyridinyl)methyl]amino]-2-oxoethyl]-N-ethylprop-2-enamide?
The InChIKey is MMRHIVVFKXOSKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3/c1-5-18(23)21(6-2)13-19(24)22(16-7-8-16)12-15-9-10-20-17(11-15)25-14(3)4/h5,9-11,14,16H,1,6-8,12-13H2,2-4H3.
What are the key properties of N-[2-[cyclopropyl-[(2-propan-2-yloxy-4-pyridinyl)methyl]amino]-2-oxoethyl]-N-ethylprop-2-enamide?
N-[2-[cyclopropyl-[(2-propan-2-yloxy-4-pyridinyl)methyl]amino]-2-oxoethyl]-N-ethylprop-2-enamide has a molecular weight of 345.44 g/mol, XLogP of 2.39, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[cyclopropyl-[(2-propan-2-yloxy-4-pyridinyl)methyl]amino]-2-oxoethyl]-N-ethylprop-2-enamide is sourced from PubChem (CID 166407618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).