N-[6-(dimethylamino)-3-pyridinyl]-3-(2-ethoxyphenyl)propanamide

C18H23N3O2 — CID 30295210

IUPACN-[6-(dimethylamino)-3-pyridinyl]-3-(2-ethoxyphenyl)propanamide
SMILESCCOc1ccccc1CCC(=O)Nc1ccc(N(C)C)nc1
InChIInChI=1S/C18H23N3O2/c1-4-23-16-8-6-5-7-14(16)9-12-18(22)20-15-10-11-17(19-13-15)21(2)3/h5-8,10-11,13H,4,9,12H2,1-3H3,(H,20,22)
InChIKeyPZOHXHGVHWVIGP-UHFFFAOYSA-N
MW313.40 g/mol
LogP3.12
Rot. Bonds7

About N-[6-(dimethylamino)-3-pyridinyl]-3-(2-ethoxyphenyl)propanamide

N-[6-(dimethylamino)-3-pyridinyl]-3-(2-ethoxyphenyl)propanamide (PubChem CID 30295210) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is N-[6-(dimethylamino)-3-pyridinyl]-3-(2-ethoxyphenyl)propanamide.

Molecular Properties

Compound NameN-[6-(dimethylamino)-3-pyridinyl]-3-(2-ethoxyphenyl)propanamide
PubChem CID30295210
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC NameN-[6-(dimethylamino)-3-pyridinyl]-3-(2-ethoxyphenyl)propanamide
SMILESCCOc1ccccc1CCC(=O)Nc1ccc(N(C)C)nc1
InChIInChI=1S/C18H23N3O2/c1-4-23-16-8-6-5-7-14(16)9-12-18(22)20-15-10-11-17(19-13-15)21(2)3/h5-8,10-11,13H,4,9,12H2,1-3H3,(H,20,22)
InChIKeyPZOHXHGVHWVIGP-UHFFFAOYSA-N
XLogP3.12
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-chlorophenyl)-N-[6-(dimethylamino)-3-pyridinyl]propanamide
CID 30296888
3-(2-ethoxyphenyl)-N-[4-(1,3-oxazol-5-yl)phenyl]propanamide
CID 87008242
N-[4-(cyanomethyl)phenyl]-3-(2-ethoxyphenyl)propanamide
CID 9261211
4-chloro-N-[6-(dimethylamino)-3-pyridinyl]butanamide
CID 63308097
N-(3-acetamido-4-fluorophenyl)-3-(2-ethoxyphenyl)propanamide
CID 32943090
N-[6-(dimethylamino)-3-pyridinyl]-4-(methylamino)butanamide
CID 60842943
3-(2-ethoxyphenyl)-N-(2-pyridin-2-ylethyl)propanamide
CID 78805128
4-[3-(2-ethoxyphenyl)propanoylamino]-N-(2,2,2-trifluoroethyl)benzamide
CID 46585175
3-(2-ethoxyphenyl)-N-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]propanamide
CID 55493215
N-(4-amino-2-methylquinolin-6-yl)-3-(2-ethoxyphenyl)propanamide
CID 73056477
3-(2-ethoxyphenyl)-N-(1-hydroxy-2-methylpropan-2-yl)propanamide
CID 43393251
N-(2,5-diethoxyphenyl)-3-(2-ethoxyphenyl)propanamide
CID 33002086

Frequently Asked Questions

What is the IUPAC name of N-[6-(dimethylamino)-3-pyridinyl]-3-(2-ethoxyphenyl)propanamide?
The IUPAC name of N-[6-(dimethylamino)-3-pyridinyl]-3-(2-ethoxyphenyl)propanamide (CID 30295210) is N-[6-(dimethylamino)-3-pyridinyl]-3-(2-ethoxyphenyl)propanamide.
What is the SMILES notation for N-[6-(dimethylamino)-3-pyridinyl]-3-(2-ethoxyphenyl)propanamide?
The canonical SMILES for N-[6-(dimethylamino)-3-pyridinyl]-3-(2-ethoxyphenyl)propanamide is CCOc1ccccc1CCC(=O)Nc1ccc(N(C)C)nc1.
What is the InChIKey of N-[6-(dimethylamino)-3-pyridinyl]-3-(2-ethoxyphenyl)propanamide?
The InChIKey is PZOHXHGVHWVIGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-4-23-16-8-6-5-7-14(16)9-12-18(22)20-15-10-11-17(19-13-15)21(2)3/h5-8,10-11,13H,4,9,12H2,1-3H3,(H,20,22).
What are the key properties of N-[6-(dimethylamino)-3-pyridinyl]-3-(2-ethoxyphenyl)propanamide?
N-[6-(dimethylamino)-3-pyridinyl]-3-(2-ethoxyphenyl)propanamide has a molecular weight of 313.40 g/mol, XLogP of 3.12, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(dimethylamino)-3-pyridinyl]-3-(2-ethoxyphenyl)propanamide is sourced from PubChem (CID 30295210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).