N-[(1R)-1-pyridin-3-yl-2-thiophen-3-ylethyl]pyrimidine-5-carboxamide

C16H14N4OS — CID 92570534

IUPACN-[(1R)-1-pyridin-3-yl-2-thiophen-3-ylethyl]pyrimidine-5-carboxamide
SMILESO=C(N[C@H](Cc1ccsc1)c1cccnc1)c1cncnc1
InChIInChI=1S/C16H14N4OS/c21-16(14-8-18-11-19-9-14)20-15(6-12-3-5-22-10-12)13-2-1-4-17-7-13/h1-5,7-11,15H,6H2,(H,20,21)/t15-/m1/s1
InChIKeyDLIZPPYBFVTEPX-OAHLLOKOSA-N
MW310.38 g/mol
LogP2.65
Rot. Bonds5

About N-[(1R)-1-pyridin-3-yl-2-thiophen-3-ylethyl]pyrimidine-5-carboxamide

N-[(1R)-1-pyridin-3-yl-2-thiophen-3-ylethyl]pyrimidine-5-carboxamide (PubChem CID 92570534) has the molecular formula C16H14N4OS and a molecular weight of 310.38 g/mol. Its IUPAC name is N-[(1R)-1-pyridin-3-yl-2-thiophen-3-ylethyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-pyridin-3-yl-2-thiophen-3-ylethyl]pyrimidine-5-carboxamide
PubChem CID92570534
Molecular FormulaC16H14N4OS
Molecular Weight310.38 g/mol
Exact Mass310.09
IUPAC NameN-[(1R)-1-pyridin-3-yl-2-thiophen-3-ylethyl]pyrimidine-5-carboxamide
SMILESO=C(N[C@H](Cc1ccsc1)c1cccnc1)c1cncnc1
InChIInChI=1S/C16H14N4OS/c21-16(14-8-18-11-19-9-14)20-15(6-12-3-5-22-10-12)13-2-1-4-17-7-13/h1-5,7-11,15H,6H2,(H,20,21)/t15-/m1/s1
InChIKeyDLIZPPYBFVTEPX-OAHLLOKOSA-N
XLogP2.65
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-1-pyridin-3-yl-2-thiophen-3-ylethanamine
CID 61077665
2-pyrazol-1-yl-N-(1-pyridin-3-yl-2-thiophen-3-ylethyl)acetamide
CID 110222101
5-ethyl-2,4-dimethyl-N-(1-pyridin-3-yl-2-thiophen-3-ylethyl)pyrazole-3-carboxamide
CID 110222100
cis-(1R,3S)-3-methoxy-N-[(1S)-1-pyridin-3-yl-2-thiophen-3-ylethyl]cyclohexane-1-carboxamide
CID 92610648
(1-pyridin-3-yl-3-thiophen-3-ylpropyl)hydrazine
CID 105196206
2-[(4R)-1-cyclohexyl-2,5-dioxoimidazolidin-4-yl]-N-[(1S)-1-pyridin-3-yl-2-thiophen-3-ylethyl]acetamide
CID 92570518
4-methoxy-N-(1-pyridin-3-yl-2-thiophen-3-ylethyl)benzenesulfonamide
CID 110222105
N-(2-bromo-1-phenylethyl)pyridine-3-carboxamide
CID 113274720
1,2-dipyridin-3-ylethylthiourea
CID 20980032
(2R)-N,2-dipyridin-3-yl-N-(thiophen-3-ylmethyl)propanamide
CID 129402819
N-(pyridin-3-ylmethyl)thiophene-3-carboxamide
CID 17015853
oxalic acid;1-pyridin-3-yl-N-(thiophen-3-ylmethyl)methanamine
CID 171155059

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-pyridin-3-yl-2-thiophen-3-ylethyl]pyrimidine-5-carboxamide?
The IUPAC name of N-[(1R)-1-pyridin-3-yl-2-thiophen-3-ylethyl]pyrimidine-5-carboxamide (CID 92570534) is N-[(1R)-1-pyridin-3-yl-2-thiophen-3-ylethyl]pyrimidine-5-carboxamide.
What is the SMILES notation for N-[(1R)-1-pyridin-3-yl-2-thiophen-3-ylethyl]pyrimidine-5-carboxamide?
The canonical SMILES for N-[(1R)-1-pyridin-3-yl-2-thiophen-3-ylethyl]pyrimidine-5-carboxamide is O=C(N[C@H](Cc1ccsc1)c1cccnc1)c1cncnc1.
What is the InChIKey of N-[(1R)-1-pyridin-3-yl-2-thiophen-3-ylethyl]pyrimidine-5-carboxamide?
The InChIKey is DLIZPPYBFVTEPX-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H14N4OS/c21-16(14-8-18-11-19-9-14)20-15(6-12-3-5-22-10-12)13-2-1-4-17-7-13/h1-5,7-11,15H,6H2,(H,20,21)/t15-/m1/s1.
What are the key properties of N-[(1R)-1-pyridin-3-yl-2-thiophen-3-ylethyl]pyrimidine-5-carboxamide?
N-[(1R)-1-pyridin-3-yl-2-thiophen-3-ylethyl]pyrimidine-5-carboxamide has a molecular weight of 310.38 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-pyridin-3-yl-2-thiophen-3-ylethyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 92570534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).