2-[(2-aminopyrimidin-4-yl)methylsulfanyl]-N-(2,3-dihydro-1H-inden-5-yl)pyridine-3-carboxamide

C20H19N5OS — CID 67160606

IUPAC2-[(2-aminopyrimidin-4-yl)methylsulfanyl]-N-(2,3-dihydro-1H-inden-5-yl)pyridine-3-carboxamide
SMILESNc1nccc(CSc2ncccc2C(=O)Nc2ccc3c(c2)CCC3)n1
InChIInChI=1S/C20H19N5OS/c21-20-23-10-8-16(25-20)12-27-19-17(5-2-9-22-19)18(26)24-15-7-6-13-3-1-4-14(13)11-15/h2,5-11H,1,3-4,12H2,(H,24,26)(H2,21,23,25)
InChIKeyQSKZDCKECPNLOE-UHFFFAOYSA-N
MW377.47 g/mol
LogP3.49
Rot. Bonds5

About 2-[(2-aminopyrimidin-4-yl)methylsulfanyl]-N-(2,3-dihydro-1H-inden-5-yl)pyridine-3-carboxamide

2-[(2-aminopyrimidin-4-yl)methylsulfanyl]-N-(2,3-dihydro-1H-inden-5-yl)pyridine-3-carboxamide (PubChem CID 67160606) has the molecular formula C20H19N5OS and a molecular weight of 377.47 g/mol. Its IUPAC name is 2-[(2-aminopyrimidin-4-yl)methylsulfanyl]-N-(2,3-dihydro-1H-inden-5-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[(2-aminopyrimidin-4-yl)methylsulfanyl]-N-(2,3-dihydro-1H-inden-5-yl)pyridine-3-carboxamide
PubChem CID67160606
Molecular FormulaC20H19N5OS
Molecular Weight377.47 g/mol
Exact Mass377.13
IUPAC Name2-[(2-aminopyrimidin-4-yl)methylsulfanyl]-N-(2,3-dihydro-1H-inden-5-yl)pyridine-3-carboxamide
SMILESNc1nccc(CSc2ncccc2C(=O)Nc2ccc3c(c2)CCC3)n1
InChIInChI=1S/C20H19N5OS/c21-20-23-10-8-16(25-20)12-27-19-17(5-2-9-22-19)18(26)24-15-7-6-13-3-1-4-14(13)11-15/h2,5-11H,1,3-4,12H2,(H,24,26)(H2,21,23,25)
InChIKeyQSKZDCKECPNLOE-UHFFFAOYSA-N
XLogP3.49
TPSA93.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(2-aminopyrimidin-4-yl)methylsulfanyl]-N-(3-methylphenyl)pyridine-3-carboxamide
CID 67160347
2-[(2-aminopyrimidin-4-yl)methylsulfanyl]-N-(4-methoxyphenyl)pyridine-3-carboxamide
CID 67160270
2-[(2-bromo-4-pyridinyl)methylsulfanyl]-N-(2,3-dihydro-1H-inden-5-yl)pyridine-3-carboxamide
CID 23093912
N-(2,3-dihydro-1H-inden-5-yl)-2-[[2-(methylamino)-4-pyridinyl]methylsulfanyl]pyridine-3-carboxamide
CID 11315303
N-(3,5-dimethylphenyl)-2-[(2-methylsulfanylpyrimidin-4-yl)methylsulfanyl]pyridine-3-carboxamide
CID 11964936
N-(2,3-dihydro-1H-inden-5-yl)-2-phenoxypyridine-3-carboxamide
CID 24514604
2-[[2-(4-acetylpiperazin-1-yl)pyrimidin-4-yl]methylsulfanyl]-N-(4-chlorophenyl)pyridine-3-carboxamide
CID 67159986
N-(4-carbamoyl-3-chlorophenyl)-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide
CID 39170362
2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-N-[4-(phenylcarbamoylamino)phenyl]pyridine-3-carboxamide
CID 38477184
N-(4-acetylphenyl)-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide
CID 27666255
N-[4-[2-(methylamino)-2-oxoethyl]phenyl]-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide
CID 36545059
2-[[2-(cyclopropylamino)pyrimidin-4-yl]methylsulfanyl]-N-[3-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
CID 118249997

Frequently Asked Questions

What is the IUPAC name of 2-[(2-aminopyrimidin-4-yl)methylsulfanyl]-N-(2,3-dihydro-1H-inden-5-yl)pyridine-3-carboxamide?
The IUPAC name of 2-[(2-aminopyrimidin-4-yl)methylsulfanyl]-N-(2,3-dihydro-1H-inden-5-yl)pyridine-3-carboxamide (CID 67160606) is 2-[(2-aminopyrimidin-4-yl)methylsulfanyl]-N-(2,3-dihydro-1H-inden-5-yl)pyridine-3-carboxamide.
What is the SMILES notation for 2-[(2-aminopyrimidin-4-yl)methylsulfanyl]-N-(2,3-dihydro-1H-inden-5-yl)pyridine-3-carboxamide?
The canonical SMILES for 2-[(2-aminopyrimidin-4-yl)methylsulfanyl]-N-(2,3-dihydro-1H-inden-5-yl)pyridine-3-carboxamide is Nc1nccc(CSc2ncccc2C(=O)Nc2ccc3c(c2)CCC3)n1.
What is the InChIKey of 2-[(2-aminopyrimidin-4-yl)methylsulfanyl]-N-(2,3-dihydro-1H-inden-5-yl)pyridine-3-carboxamide?
The InChIKey is QSKZDCKECPNLOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5OS/c21-20-23-10-8-16(25-20)12-27-19-17(5-2-9-22-19)18(26)24-15-7-6-13-3-1-4-14(13)11-15/h2,5-11H,1,3-4,12H2,(H,24,26)(H2,21,23,25).
What are the key properties of 2-[(2-aminopyrimidin-4-yl)methylsulfanyl]-N-(2,3-dihydro-1H-inden-5-yl)pyridine-3-carboxamide?
2-[(2-aminopyrimidin-4-yl)methylsulfanyl]-N-(2,3-dihydro-1H-inden-5-yl)pyridine-3-carboxamide has a molecular weight of 377.47 g/mol, XLogP of 3.49, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-aminopyrimidin-4-yl)methylsulfanyl]-N-(2,3-dihydro-1H-inden-5-yl)pyridine-3-carboxamide is sourced from PubChem (CID 67160606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).