N-[(2S)-1-(4-tert-butyltriazol-1-yl)propan-2-yl]-5-chloropyridine-3-carboxamide

C15H20ClN5O — CID 146153347

IUPACN-[(2S)-1-(4-tert-butyltriazol-1-yl)propan-2-yl]-5-chloropyridine-3-carboxamide
SMILESC[C@@H](Cn1cc(C(C)(C)C)nn1)NC(=O)c1cncc(Cl)c1
InChIInChI=1S/C15H20ClN5O/c1-10(8-21-9-13(19-20-21)15(2,3)4)18-14(22)11-5-12(16)7-17-6-11/h5-7,9-10H,8H2,1-4H3,(H,18,22)/t10-/m0/s1
InChIKeyCFRPGFXXIXACLS-JTQLQIEISA-N
MW321.81 g/mol
LogP2.44
Rot. Bonds4

About N-[(2S)-1-(4-tert-butyltriazol-1-yl)propan-2-yl]-5-chloropyridine-3-carboxamide

N-[(2S)-1-(4-tert-butyltriazol-1-yl)propan-2-yl]-5-chloropyridine-3-carboxamide (PubChem CID 146153347) has the molecular formula C15H20ClN5O and a molecular weight of 321.81 g/mol. Its IUPAC name is N-[(2S)-1-(4-tert-butyltriazol-1-yl)propan-2-yl]-5-chloropyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-(4-tert-butyltriazol-1-yl)propan-2-yl]-5-chloropyridine-3-carboxamide
PubChem CID146153347
Molecular FormulaC15H20ClN5O
Molecular Weight321.81 g/mol
Exact Mass321.14
IUPAC NameN-[(2S)-1-(4-tert-butyltriazol-1-yl)propan-2-yl]-5-chloropyridine-3-carboxamide
SMILESC[C@@H](Cn1cc(C(C)(C)C)nn1)NC(=O)c1cncc(Cl)c1
InChIInChI=1S/C15H20ClN5O/c1-10(8-21-9-13(19-20-21)15(2,3)4)18-14(22)11-5-12(16)7-17-6-11/h5-7,9-10H,8H2,1-4H3,(H,18,22)/t10-/m0/s1
InChIKeyCFRPGFXXIXACLS-JTQLQIEISA-N
XLogP2.44
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.81
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-N-hydroxypyridine-3-carboxamide
CID 130672064
5-hydroxy-N-(4-hydroxybutan-2-yl)pyridine-3-carboxamide
CID 115283714
1-(5-chloro-3-pyridinyl)-2-methylpropan-1-one
CID 131025177
5-chloro-N-[(1S)-1-(5-chloro-2-pyridinyl)ethyl]pyridine-3-carboxamide
CID 155965739
3,5-dichloro-N-[2-[1-(2-methylsulfanylethyl)triazol-4-yl]propan-2-yl]benzamide
CID 154687798
N-butan-2-yl-5-(tert-butylamino)pyridine-3-carboxamide
CID 109225186
N-butan-2-yl-5-(3,5-dichloroanilino)pyridine-3-carboxamide
CID 109225291
5-chloro-N-(4,4,4-trifluoro-3-hydroxy-2-methylbutan-2-yl)pyridine-3-carboxamide
CID 138012446
N-butan-2-yl-5-fluoropyridine-3-carboxamide
CID 115694418
N-(3-tert-butyl-4-methylphenyl)-5-chloropyridine-3-carboxamide
CID 170149232
5-hydroxy-N-propan-2-ylpyridine-3-carboxamide
CID 63864751
5-methyl-N-[(2S)-4-oxopentan-2-yl]pyridine-3-carboxamide
CID 164641680

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-(4-tert-butyltriazol-1-yl)propan-2-yl]-5-chloropyridine-3-carboxamide?
The IUPAC name of N-[(2S)-1-(4-tert-butyltriazol-1-yl)propan-2-yl]-5-chloropyridine-3-carboxamide (CID 146153347) is N-[(2S)-1-(4-tert-butyltriazol-1-yl)propan-2-yl]-5-chloropyridine-3-carboxamide.
What is the SMILES notation for N-[(2S)-1-(4-tert-butyltriazol-1-yl)propan-2-yl]-5-chloropyridine-3-carboxamide?
The canonical SMILES for N-[(2S)-1-(4-tert-butyltriazol-1-yl)propan-2-yl]-5-chloropyridine-3-carboxamide is C[C@@H](Cn1cc(C(C)(C)C)nn1)NC(=O)c1cncc(Cl)c1.
What is the InChIKey of N-[(2S)-1-(4-tert-butyltriazol-1-yl)propan-2-yl]-5-chloropyridine-3-carboxamide?
The InChIKey is CFRPGFXXIXACLS-JTQLQIEISA-N. The full InChI is InChI=1S/C15H20ClN5O/c1-10(8-21-9-13(19-20-21)15(2,3)4)18-14(22)11-5-12(16)7-17-6-11/h5-7,9-10H,8H2,1-4H3,(H,18,22)/t10-/m0/s1.
What are the key properties of N-[(2S)-1-(4-tert-butyltriazol-1-yl)propan-2-yl]-5-chloropyridine-3-carboxamide?
N-[(2S)-1-(4-tert-butyltriazol-1-yl)propan-2-yl]-5-chloropyridine-3-carboxamide has a molecular weight of 321.81 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-(4-tert-butyltriazol-1-yl)propan-2-yl]-5-chloropyridine-3-carboxamide is sourced from PubChem (CID 146153347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).