(2R)-N,2-dipyridin-3-yl-N-(thiophen-3-ylmethyl)propanamide

C18H17N3OS — CID 129402819

IUPAC(2R)-N,2-dipyridin-3-yl-N-(thiophen-3-ylmethyl)propanamide
SMILESC[C@@H](C(=O)N(Cc1ccsc1)c1cccnc1)c1cccnc1
InChIInChI=1S/C18H17N3OS/c1-14(16-4-2-7-19-10-16)18(22)21(12-15-6-9-23-13-15)17-5-3-8-20-11-17/h2-11,13-14H,12H2,1H3/t14-/m1/s1
InChIKeyXNSQBQPCYJYYOO-CQSZACIVSA-N
MW323.42 g/mol
LogP3.88
Rot. Bonds5

About (2R)-N,2-dipyridin-3-yl-N-(thiophen-3-ylmethyl)propanamide

(2R)-N,2-dipyridin-3-yl-N-(thiophen-3-ylmethyl)propanamide (PubChem CID 129402819) has the molecular formula C18H17N3OS and a molecular weight of 323.42 g/mol. Its IUPAC name is (2R)-N,2-dipyridin-3-yl-N-(thiophen-3-ylmethyl)propanamide.

Molecular Properties

Compound Name(2R)-N,2-dipyridin-3-yl-N-(thiophen-3-ylmethyl)propanamide
PubChem CID129402819
Molecular FormulaC18H17N3OS
Molecular Weight323.42 g/mol
Exact Mass323.11
IUPAC Name(2R)-N,2-dipyridin-3-yl-N-(thiophen-3-ylmethyl)propanamide
SMILESC[C@@H](C(=O)N(Cc1ccsc1)c1cccnc1)c1cccnc1
InChIInChI=1S/C18H17N3OS/c1-14(16-4-2-7-19-10-16)18(22)21(12-15-6-9-23-13-15)17-5-3-8-20-11-17/h2-11,13-14H,12H2,1H3/t14-/m1/s1
InChIKeyXNSQBQPCYJYYOO-CQSZACIVSA-N
XLogP3.88
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.42
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,3R)-2-propan-2-yl-N-pyridin-3-yl-N-(thiophen-3-ylmethyl)oxolane-3-carboxamide
CID 124887400
4-cyano-N-pyridin-3-yl-N-(thiophen-3-ylmethyl)thiophene-2-carboxamide
CID 99838969
N-propyl-2-pyridin-3-yl-2-pyrrolidin-1-yl-N-(thiophen-3-ylmethyl)acetamide
CID 72837629
N-(pyridin-3-ylmethyl)-N-(thiophen-3-ylmethyl)butan-2-amine
CID 50980902
2-amino-N-phenyl-N-(thiophen-3-ylmethyl)pentanamide
CID 119314161
N-methyl-1-pyridin-3-yl-2-thiophen-3-ylethanamine
CID 61077665
7-methoxy-N-pyridin-3-yl-N-(thiophen-3-ylmethyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 167768521
(1-pyridin-3-yl-3-thiophen-3-ylpropyl)hydrazine
CID 105196206
2-pyridin-3-ylpropanehydrazide
CID 116843938
N-[(1R)-1-pyridin-3-yl-2-thiophen-3-ylethyl]pyrimidine-5-carboxamide
CID 92570534
2-cyclopropyl-N-phenyl-N-(pyridin-3-ylmethyl)propanamide
CID 110613046
2-pyrazol-1-yl-N-(1-pyridin-3-yl-2-thiophen-3-ylethyl)acetamide
CID 110222101

Frequently Asked Questions

What is the IUPAC name of (2R)-N,2-dipyridin-3-yl-N-(thiophen-3-ylmethyl)propanamide?
The IUPAC name of (2R)-N,2-dipyridin-3-yl-N-(thiophen-3-ylmethyl)propanamide (CID 129402819) is (2R)-N,2-dipyridin-3-yl-N-(thiophen-3-ylmethyl)propanamide.
What is the SMILES notation for (2R)-N,2-dipyridin-3-yl-N-(thiophen-3-ylmethyl)propanamide?
The canonical SMILES for (2R)-N,2-dipyridin-3-yl-N-(thiophen-3-ylmethyl)propanamide is C[C@@H](C(=O)N(Cc1ccsc1)c1cccnc1)c1cccnc1.
What is the InChIKey of (2R)-N,2-dipyridin-3-yl-N-(thiophen-3-ylmethyl)propanamide?
The InChIKey is XNSQBQPCYJYYOO-CQSZACIVSA-N. The full InChI is InChI=1S/C18H17N3OS/c1-14(16-4-2-7-19-10-16)18(22)21(12-15-6-9-23-13-15)17-5-3-8-20-11-17/h2-11,13-14H,12H2,1H3/t14-/m1/s1.
What are the key properties of (2R)-N,2-dipyridin-3-yl-N-(thiophen-3-ylmethyl)propanamide?
(2R)-N,2-dipyridin-3-yl-N-(thiophen-3-ylmethyl)propanamide has a molecular weight of 323.42 g/mol, XLogP of 3.88, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N,2-dipyridin-3-yl-N-(thiophen-3-ylmethyl)propanamide is sourced from PubChem (CID 129402819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).