N-[[5-chloro-2-(3-methoxypropyl)-4-pyridinyl]methyl]-N-cyclopropyl-2-methylnon-2-enamide

C23H35ClN2O2 — CID 90729703

IUPACN-[[5-chloro-2-(3-methoxypropyl)-4-pyridinyl]methyl]-N-cyclopropyl-2-methylnon-2-enamide
SMILESCCCCCCC=C(C)C(=O)N(Cc1cc(CCCOC)ncc1Cl)C1CC1
InChIInChI=1S/C23H35ClN2O2/c1-4-5-6-7-8-10-18(2)23(27)26(21-12-13-21)17-19-15-20(11-9-14-28-3)25-16-22(19)24/h10,15-16,21H,4-9,11-14,17H2,1-3H3
InChIKeyGHGFODDSXQVNQE-UHFFFAOYSA-N
MW407.00 g/mol
LogP5.72
Rot. Bonds13

About N-[[5-chloro-2-(3-methoxypropyl)-4-pyridinyl]methyl]-N-cyclopropyl-2-methylnon-2-enamide

N-[[5-chloro-2-(3-methoxypropyl)-4-pyridinyl]methyl]-N-cyclopropyl-2-methylnon-2-enamide (PubChem CID 90729703) has the molecular formula C23H35ClN2O2 and a molecular weight of 407.00 g/mol. Its IUPAC name is N-[[5-chloro-2-(3-methoxypropyl)-4-pyridinyl]methyl]-N-cyclopropyl-2-methylnon-2-enamide.

Molecular Properties

Compound NameN-[[5-chloro-2-(3-methoxypropyl)-4-pyridinyl]methyl]-N-cyclopropyl-2-methylnon-2-enamide
PubChem CID90729703
Molecular FormulaC23H35ClN2O2
Molecular Weight407.00 g/mol
Exact Mass406.24
IUPAC NameN-[[5-chloro-2-(3-methoxypropyl)-4-pyridinyl]methyl]-N-cyclopropyl-2-methylnon-2-enamide
SMILESCCCCCCC=C(C)C(=O)N(Cc1cc(CCCOC)ncc1Cl)C1CC1
InChIInChI=1S/C23H35ClN2O2/c1-4-5-6-7-8-10-18(2)23(27)26(21-12-13-21)17-19-15-20(11-9-14-28-3)25-16-22(19)24/h10,15-16,21H,4-9,11-14,17H2,1-3H3
InChIKeyGHGFODDSXQVNQE-UHFFFAOYSA-N
XLogP5.72
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.00
LogP ≤ 55.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

CID 56789343
CID 56789343
CID 72042662
CID 72042662
CID 56816677
CID 56816677
CID 44481072
CID 44481072
CID 57647572
CID 57647572
CID 57647579
CID 57647579
CID 57956104
CID 57956104
CID 58171034
CID 58171034
CID 59097245
CID 59097245
CID 59509254
CID 59509254
CID 59509260
CID 59509260
CID 59509271
CID 59509271

Frequently Asked Questions

What is the IUPAC name of N-[[5-chloro-2-(3-methoxypropyl)-4-pyridinyl]methyl]-N-cyclopropyl-2-methylnon-2-enamide?
The IUPAC name of N-[[5-chloro-2-(3-methoxypropyl)-4-pyridinyl]methyl]-N-cyclopropyl-2-methylnon-2-enamide (CID 90729703) is N-[[5-chloro-2-(3-methoxypropyl)-4-pyridinyl]methyl]-N-cyclopropyl-2-methylnon-2-enamide.
What is the SMILES notation for N-[[5-chloro-2-(3-methoxypropyl)-4-pyridinyl]methyl]-N-cyclopropyl-2-methylnon-2-enamide?
The canonical SMILES for N-[[5-chloro-2-(3-methoxypropyl)-4-pyridinyl]methyl]-N-cyclopropyl-2-methylnon-2-enamide is CCCCCCC=C(C)C(=O)N(Cc1cc(CCCOC)ncc1Cl)C1CC1.
What is the InChIKey of N-[[5-chloro-2-(3-methoxypropyl)-4-pyridinyl]methyl]-N-cyclopropyl-2-methylnon-2-enamide?
The InChIKey is GHGFODDSXQVNQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35ClN2O2/c1-4-5-6-7-8-10-18(2)23(27)26(21-12-13-21)17-19-15-20(11-9-14-28-3)25-16-22(19)24/h10,15-16,21H,4-9,11-14,17H2,1-3H3.
What are the key properties of N-[[5-chloro-2-(3-methoxypropyl)-4-pyridinyl]methyl]-N-cyclopropyl-2-methylnon-2-enamide?
N-[[5-chloro-2-(3-methoxypropyl)-4-pyridinyl]methyl]-N-cyclopropyl-2-methylnon-2-enamide has a molecular weight of 407.00 g/mol, XLogP of 5.72, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-chloro-2-(3-methoxypropyl)-4-pyridinyl]methyl]-N-cyclopropyl-2-methylnon-2-enamide is sourced from PubChem (CID 90729703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).