1-[3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoyl]-4-hydroxy-N-propylpiperidine-4-carboxamide

C19H28N6O3 — CID 169416827

IUPAC1-[3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoyl]-4-hydroxy-N-propylpiperidine-4-carboxamide
SMILESCCCNC(=O)C1(O)CCN(C(=O)CCc2c(C)nc3ncnn3c2C)CC1
InChIInChI=1S/C19H28N6O3/c1-4-9-20-17(27)19(28)7-10-24(11-8-19)16(26)6-5-15-13(2)23-18-21-12-22-25(18)14(15)3/h12,28H,4-11H2,1-3H3,(H,20,27)
InChIKeyVEPJNKHSIFCNIV-UHFFFAOYSA-N
MW388.47 g/mol
LogP0.55
Rot. Bonds6

About 1-[3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoyl]-4-hydroxy-N-propylpiperidine-4-carboxamide

1-[3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoyl]-4-hydroxy-N-propylpiperidine-4-carboxamide (PubChem CID 169416827) has the molecular formula C19H28N6O3 and a molecular weight of 388.47 g/mol. Its IUPAC name is 1-[3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoyl]-4-hydroxy-N-propylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoyl]-4-hydroxy-N-propylpiperidine-4-carboxamide
PubChem CID169416827
Molecular FormulaC19H28N6O3
Molecular Weight388.47 g/mol
Exact Mass388.22
IUPAC Name1-[3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoyl]-4-hydroxy-N-propylpiperidine-4-carboxamide
SMILESCCCNC(=O)C1(O)CCN(C(=O)CCc2c(C)nc3ncnn3c2C)CC1
InChIInChI=1S/C19H28N6O3/c1-4-9-20-17(27)19(28)7-10-24(11-8-19)16(26)6-5-15-13(2)23-18-21-12-22-25(18)14(15)3/h12,28H,4-11H2,1-3H3,(H,20,27)
InChIKeyVEPJNKHSIFCNIV-UHFFFAOYSA-N
XLogP0.55
TPSA112.72 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)propanamide
CID 18157120
3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-1-[4-(piperidine-1-carbonyl)piperazin-1-yl]propan-1-one
CID 18153001
3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-1-(4-propyl-1,4-diazepan-1-yl)propan-1-one
CID 56800806
3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-1-(4-hydroxy-2-methyl-2,9-diazaspiro[5.5]undecan-9-yl)propan-1-one
CID 171907167
1-[(3S,4S)-3,4-dihydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]-3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propan-1-one
CID 163306567
N-butyl-3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide
CID 18106246
(2R)-4-[3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoyl]-N-propyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 9428534
1-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propan-1-one
CID 46654351
1-[3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoyl]-N-ethylpyrrolidine-3-sulfonamide
CID 162521821
3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-1-[4-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]propan-1-one
CID 91830846
2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[2-oxo-2-(propylamino)ethyl]acetamide
CID 9163412
N-(4-butylphenyl)-3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide
CID 9404148

Frequently Asked Questions

What is the IUPAC name of 1-[3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoyl]-4-hydroxy-N-propylpiperidine-4-carboxamide?
The IUPAC name of 1-[3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoyl]-4-hydroxy-N-propylpiperidine-4-carboxamide (CID 169416827) is 1-[3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoyl]-4-hydroxy-N-propylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoyl]-4-hydroxy-N-propylpiperidine-4-carboxamide?
The canonical SMILES for 1-[3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoyl]-4-hydroxy-N-propylpiperidine-4-carboxamide is CCCNC(=O)C1(O)CCN(C(=O)CCc2c(C)nc3ncnn3c2C)CC1.
What is the InChIKey of 1-[3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoyl]-4-hydroxy-N-propylpiperidine-4-carboxamide?
The InChIKey is VEPJNKHSIFCNIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N6O3/c1-4-9-20-17(27)19(28)7-10-24(11-8-19)16(26)6-5-15-13(2)23-18-21-12-22-25(18)14(15)3/h12,28H,4-11H2,1-3H3,(H,20,27).
What are the key properties of 1-[3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoyl]-4-hydroxy-N-propylpiperidine-4-carboxamide?
1-[3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoyl]-4-hydroxy-N-propylpiperidine-4-carboxamide has a molecular weight of 388.47 g/mol, XLogP of 0.55, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoyl]-4-hydroxy-N-propylpiperidine-4-carboxamide is sourced from PubChem (CID 169416827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).