N-(2-chloro-3-pyridinyl)-2-[[(1R)-2-methyl-1-(4-propylphenyl)propyl]amino]acetamide

C20H26ClN3O — CID 8970430

IUPACN-(2-chloro-3-pyridinyl)-2-[[(1R)-2-methyl-1-(4-propylphenyl)propyl]amino]acetamide
SMILESCCCc1ccc([C@H](NCC(=O)Nc2cccnc2Cl)C(C)C)cc1
InChIInChI=1S/C20H26ClN3O/c1-4-6-15-8-10-16(11-9-15)19(14(2)3)23-13-18(25)24-17-7-5-12-22-20(17)21/h5,7-12,14,19,23H,4,6,13H2,1-3H3,(H,24,25)/t19-/m1/s1
InChIKeyQLHPKKDVJBIOFP-LJQANCHMSA-N
MW359.90 g/mol
LogP4.61
Rot. Bonds8

About N-(2-chloro-3-pyridinyl)-2-[[(1R)-2-methyl-1-(4-propylphenyl)propyl]amino]acetamide

N-(2-chloro-3-pyridinyl)-2-[[(1R)-2-methyl-1-(4-propylphenyl)propyl]amino]acetamide (PubChem CID 8970430) has the molecular formula C20H26ClN3O and a molecular weight of 359.90 g/mol. Its IUPAC name is N-(2-chloro-3-pyridinyl)-2-[[(1R)-2-methyl-1-(4-propylphenyl)propyl]amino]acetamide.

Molecular Properties

Compound NameN-(2-chloro-3-pyridinyl)-2-[[(1R)-2-methyl-1-(4-propylphenyl)propyl]amino]acetamide
PubChem CID8970430
Molecular FormulaC20H26ClN3O
Molecular Weight359.90 g/mol
Exact Mass359.18
IUPAC NameN-(2-chloro-3-pyridinyl)-2-[[(1R)-2-methyl-1-(4-propylphenyl)propyl]amino]acetamide
SMILESCCCc1ccc([C@H](NCC(=O)Nc2cccnc2Cl)C(C)C)cc1
InChIInChI=1S/C20H26ClN3O/c1-4-6-15-8-10-16(11-9-15)19(14(2)3)23-13-18(25)24-17-7-5-12-22-20(17)21/h5,7-12,14,19,23H,4,6,13H2,1-3H3,(H,24,25)/t19-/m1/s1
InChIKeyQLHPKKDVJBIOFP-LJQANCHMSA-N
XLogP4.61
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.90
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-(2-chloro-3-pyridinyl)-2-[[(1S)-2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]acetamide
CID 8923068
2-[[(1S)-1-(4-tert-butylphenyl)-2-methylpropyl]amino]-N-(2-chloro-3-pyridinyl)acetamide
CID 9129529
2-[[(1S)-1-(4-butylphenyl)-2-methylpropyl]amino]-N-(2-methylsulfonylphenyl)acetamide
CID 8998557
[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl]-[(R)-(4-propylphenyl)-thiophen-2-ylmethyl]azanium
CID 9136200
N-(2-chloro-3-pyridinyl)-2-(methylamino)acetamide
CID 43222204
N-(2-chloro-3-pyridinyl)-3-(propan-2-ylamino)propanamide
CID 60853808
2-[[1-(4-chlorophenyl)-2-methylpropyl]amino]-N-(2-fluorophenyl)acetamide
CID 16598681
N-(2-fluoro-5-methylsulfonylphenyl)-2-[[(1S)-2-methyl-1-(4-propylphenyl)propyl]amino]acetamide
CID 97028049
N-(5-acetamido-2-methoxyphenyl)-2-[[(1R)-2-methyl-1-(4-propylphenyl)propyl]amino]acetamide
CID 8971255
2-[[(1S)-2-methyl-1-(4-propylphenyl)propyl]amino]-N-(3-methylsulfonylphenyl)acetamide
CID 8971206
2-[[2-methyl-1-(4-propylphenyl)propyl]amino]-N-(propylcarbamoyl)acetamide
CID 46615152
2-[[(1S)-1-(4-chlorophenyl)-2-methylpropyl]amino]-N-(2-iodophenyl)acetamide
CID 41378344

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-3-pyridinyl)-2-[[(1R)-2-methyl-1-(4-propylphenyl)propyl]amino]acetamide?
The IUPAC name of N-(2-chloro-3-pyridinyl)-2-[[(1R)-2-methyl-1-(4-propylphenyl)propyl]amino]acetamide (CID 8970430) is N-(2-chloro-3-pyridinyl)-2-[[(1R)-2-methyl-1-(4-propylphenyl)propyl]amino]acetamide.
What is the SMILES notation for N-(2-chloro-3-pyridinyl)-2-[[(1R)-2-methyl-1-(4-propylphenyl)propyl]amino]acetamide?
The canonical SMILES for N-(2-chloro-3-pyridinyl)-2-[[(1R)-2-methyl-1-(4-propylphenyl)propyl]amino]acetamide is CCCc1ccc([C@H](NCC(=O)Nc2cccnc2Cl)C(C)C)cc1.
What is the InChIKey of N-(2-chloro-3-pyridinyl)-2-[[(1R)-2-methyl-1-(4-propylphenyl)propyl]amino]acetamide?
The InChIKey is QLHPKKDVJBIOFP-LJQANCHMSA-N. The full InChI is InChI=1S/C20H26ClN3O/c1-4-6-15-8-10-16(11-9-15)19(14(2)3)23-13-18(25)24-17-7-5-12-22-20(17)21/h5,7-12,14,19,23H,4,6,13H2,1-3H3,(H,24,25)/t19-/m1/s1.
What are the key properties of N-(2-chloro-3-pyridinyl)-2-[[(1R)-2-methyl-1-(4-propylphenyl)propyl]amino]acetamide?
N-(2-chloro-3-pyridinyl)-2-[[(1R)-2-methyl-1-(4-propylphenyl)propyl]amino]acetamide has a molecular weight of 359.90 g/mol, XLogP of 4.61, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-3-pyridinyl)-2-[[(1R)-2-methyl-1-(4-propylphenyl)propyl]amino]acetamide is sourced from PubChem (CID 8970430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).