3-[cyclopropyl(naphthalen-1-ylmethyl)amino]-N-(3-ethoxy-2-pyridinyl)propanamide

C24H27N3O2 — CID 84565019

IUPAC3-[cyclopropyl(naphthalen-1-ylmethyl)amino]-N-(3-ethoxy-2-pyridinyl)propanamide
SMILESCCOc1cccnc1NC(=O)CCN(Cc1cccc2ccccc12)C1CC1
InChIInChI=1S/C24H27N3O2/c1-2-29-22-11-6-15-25-24(22)26-23(28)14-16-27(20-12-13-20)17-19-9-5-8-18-7-3-4-10-21(18)19/h3-11,15,20H,2,12-14,16-17H2,1H3,(H,25,26,28)
InChIKeyWIWPJLXZINKJEE-UHFFFAOYSA-N
MW389.50 g/mol
LogP4.63
Rot. Bonds9

About 3-[cyclopropyl(naphthalen-1-ylmethyl)amino]-N-(3-ethoxy-2-pyridinyl)propanamide

3-[cyclopropyl(naphthalen-1-ylmethyl)amino]-N-(3-ethoxy-2-pyridinyl)propanamide (PubChem CID 84565019) has the molecular formula C24H27N3O2 and a molecular weight of 389.50 g/mol. Its IUPAC name is 3-[cyclopropyl(naphthalen-1-ylmethyl)amino]-N-(3-ethoxy-2-pyridinyl)propanamide.

Molecular Properties

Compound Name3-[cyclopropyl(naphthalen-1-ylmethyl)amino]-N-(3-ethoxy-2-pyridinyl)propanamide
PubChem CID84565019
Molecular FormulaC24H27N3O2
Molecular Weight389.50 g/mol
Exact Mass389.21
IUPAC Name3-[cyclopropyl(naphthalen-1-ylmethyl)amino]-N-(3-ethoxy-2-pyridinyl)propanamide
SMILESCCOc1cccnc1NC(=O)CCN(Cc1cccc2ccccc12)C1CC1
InChIInChI=1S/C24H27N3O2/c1-2-29-22-11-6-15-25-24(22)26-23(28)14-16-27(20-12-13-20)17-19-9-5-8-18-7-3-4-10-21(18)19/h3-11,15,20H,2,12-14,16-17H2,1H3,(H,25,26,28)
InChIKeyWIWPJLXZINKJEE-UHFFFAOYSA-N
XLogP4.63
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[cyclopropyl(naphthalen-1-ylmethyl)amino]-N-(5-methyl-2-pyridinyl)propanamide
CID 84569096
3-[cyclopropyl(naphthalen-1-ylmethyl)amino]-N-(5-methyl-1,3-thiazol-2-yl)propanamide
CID 84565012
3-[cyclopropyl(naphthalen-1-ylmethyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 84569102
3-[cyclopropyl(naphthalen-1-ylmethyl)amino]-N-(4,5-dimethyl-1,3-thiazol-2-yl)propanamide
CID 84565003
N-butyl-3-[cyclopropyl(naphthalen-1-ylmethyl)amino]propanamide
CID 84567191
3-[cyclopropyl(naphthalen-1-ylmethyl)amino]-N-(2,5-dimethylphenyl)propanamide
CID 84568226
3-[cyclopropyl(naphthalen-1-ylmethyl)amino]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)propanamide
CID 84564973
N-(4-chloro-2-methylphenyl)-3-[cyclopropyl(naphthalen-1-ylmethyl)amino]propanamide
CID 84568214
N-(1,3-benzodioxol-5-yl)-3-[cyclopropyl(naphthalen-1-ylmethyl)amino]propanamide
CID 84568594
N-(2-chloro-4,6-dimethylphenyl)-3-[cyclopropyl(naphthalen-1-ylmethyl)amino]propanamide
CID 84568221
3-[cyclopropyl(naphthalen-1-ylmethyl)amino]-N-(2-methoxy-5-nitrophenyl)propanamide
CID 84568615
5-[3-[cyclopropyl(naphthalen-1-ylmethyl)amino]propanoylamino]-2-hydroxybenzoic acid
CID 84568655

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl(naphthalen-1-ylmethyl)amino]-N-(3-ethoxy-2-pyridinyl)propanamide?
The IUPAC name of 3-[cyclopropyl(naphthalen-1-ylmethyl)amino]-N-(3-ethoxy-2-pyridinyl)propanamide (CID 84565019) is 3-[cyclopropyl(naphthalen-1-ylmethyl)amino]-N-(3-ethoxy-2-pyridinyl)propanamide.
What is the SMILES notation for 3-[cyclopropyl(naphthalen-1-ylmethyl)amino]-N-(3-ethoxy-2-pyridinyl)propanamide?
The canonical SMILES for 3-[cyclopropyl(naphthalen-1-ylmethyl)amino]-N-(3-ethoxy-2-pyridinyl)propanamide is CCOc1cccnc1NC(=O)CCN(Cc1cccc2ccccc12)C1CC1.
What is the InChIKey of 3-[cyclopropyl(naphthalen-1-ylmethyl)amino]-N-(3-ethoxy-2-pyridinyl)propanamide?
The InChIKey is WIWPJLXZINKJEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O2/c1-2-29-22-11-6-15-25-24(22)26-23(28)14-16-27(20-12-13-20)17-19-9-5-8-18-7-3-4-10-21(18)19/h3-11,15,20H,2,12-14,16-17H2,1H3,(H,25,26,28).
What are the key properties of 3-[cyclopropyl(naphthalen-1-ylmethyl)amino]-N-(3-ethoxy-2-pyridinyl)propanamide?
3-[cyclopropyl(naphthalen-1-ylmethyl)amino]-N-(3-ethoxy-2-pyridinyl)propanamide has a molecular weight of 389.50 g/mol, XLogP of 4.63, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl(naphthalen-1-ylmethyl)amino]-N-(3-ethoxy-2-pyridinyl)propanamide is sourced from PubChem (CID 84565019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).