N-[1-(5-methyl-2-pyridinyl)propyl]-2-methylsulfanylpyrimidine-5-carboxamide

C15H18N4OS — CID 91791681

IUPACN-[1-(5-methyl-2-pyridinyl)propyl]-2-methylsulfanylpyrimidine-5-carboxamide
SMILESCCC(NC(=O)c1cnc(SC)nc1)c1ccc(C)cn1
InChIInChI=1S/C15H18N4OS/c1-4-12(13-6-5-10(2)7-16-13)19-14(20)11-8-17-15(21-3)18-9-11/h5-9,12H,4H2,1-3H3,(H,19,20)
InChIKeyDTOYGURUEGJWDQ-UHFFFAOYSA-N
MW302.40 g/mol
LogP2.78
Rot. Bonds5

About N-[1-(5-methyl-2-pyridinyl)propyl]-2-methylsulfanylpyrimidine-5-carboxamide

N-[1-(5-methyl-2-pyridinyl)propyl]-2-methylsulfanylpyrimidine-5-carboxamide (PubChem CID 91791681) has the molecular formula C15H18N4OS and a molecular weight of 302.40 g/mol. Its IUPAC name is N-[1-(5-methyl-2-pyridinyl)propyl]-2-methylsulfanylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[1-(5-methyl-2-pyridinyl)propyl]-2-methylsulfanylpyrimidine-5-carboxamide
PubChem CID91791681
Molecular FormulaC15H18N4OS
Molecular Weight302.40 g/mol
Exact Mass302.12
IUPAC NameN-[1-(5-methyl-2-pyridinyl)propyl]-2-methylsulfanylpyrimidine-5-carboxamide
SMILESCCC(NC(=O)c1cnc(SC)nc1)c1ccc(C)cn1
InChIInChI=1S/C15H18N4OS/c1-4-12(13-6-5-10(2)7-16-13)19-14(20)11-8-17-15(21-3)18-9-11/h5-9,12H,4H2,1-3H3,(H,19,20)
InChIKeyDTOYGURUEGJWDQ-UHFFFAOYSA-N
XLogP2.78
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-cyano-N-[(1S)-1-(5-methyl-2-pyridinyl)propyl]benzamide
CID 124751193
N-[1-(5-methyl-2-pyridinyl)propyl]-4-(piperidin-1-ylmethyl)benzamide
CID 131939571
1-methyl-N-[1-(5-methyl-2-pyridinyl)propyl]imidazole-2-carboxamide
CID 118763338
4-chloro-1,3-dimethyl-N-[(1S)-1-(5-methyl-2-pyridinyl)propyl]pyrazole-5-carboxamide
CID 126445579
2-cyclopropyl-N-[(1S)-1-(5-methyl-2-pyridinyl)propyl]-6-oxo-1H-pyrimidine-5-carboxamide
CID 126443243
4-imidazol-1-yl-N-[1-(5-methyl-2-pyridinyl)propyl]butanamide
CID 118795733
2-methylsulfanyl-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]pyrimidine-5-carboxamide
CID 51498500
2-[4-(3-methylphenyl)piperazin-1-yl]-N-[1-(5-methyl-2-pyridinyl)propyl]acetamide
CID 118776776
4-chloro-N-[(1R)-1-(4-methylphenyl)propyl]benzamide
CID 841144
N-[1-(2,4-dimethylphenyl)propyl]-2-pyridin-3-ylpyrimidine-5-carboxamide
CID 72936682
N-[(1R)-1-(2,4-dimethylphenyl)propyl]-2-pyridin-3-ylpyrimidine-5-carboxamide
CID 97209971
6-chloro-N-(1-phenylpropyl)pyridine-3-carboxamide
CID 17168005

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-methyl-2-pyridinyl)propyl]-2-methylsulfanylpyrimidine-5-carboxamide?
The IUPAC name of N-[1-(5-methyl-2-pyridinyl)propyl]-2-methylsulfanylpyrimidine-5-carboxamide (CID 91791681) is N-[1-(5-methyl-2-pyridinyl)propyl]-2-methylsulfanylpyrimidine-5-carboxamide.
What is the SMILES notation for N-[1-(5-methyl-2-pyridinyl)propyl]-2-methylsulfanylpyrimidine-5-carboxamide?
The canonical SMILES for N-[1-(5-methyl-2-pyridinyl)propyl]-2-methylsulfanylpyrimidine-5-carboxamide is CCC(NC(=O)c1cnc(SC)nc1)c1ccc(C)cn1.
What is the InChIKey of N-[1-(5-methyl-2-pyridinyl)propyl]-2-methylsulfanylpyrimidine-5-carboxamide?
The InChIKey is DTOYGURUEGJWDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4OS/c1-4-12(13-6-5-10(2)7-16-13)19-14(20)11-8-17-15(21-3)18-9-11/h5-9,12H,4H2,1-3H3,(H,19,20).
What are the key properties of N-[1-(5-methyl-2-pyridinyl)propyl]-2-methylsulfanylpyrimidine-5-carboxamide?
N-[1-(5-methyl-2-pyridinyl)propyl]-2-methylsulfanylpyrimidine-5-carboxamide has a molecular weight of 302.40 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-methyl-2-pyridinyl)propyl]-2-methylsulfanylpyrimidine-5-carboxamide is sourced from PubChem (CID 91791681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).