N-(6-methyl-2-pyridinyl)-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide

C18H21N5O — CID 35505375

IUPACN-(6-methyl-2-pyridinyl)-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide
SMILESCc1cccc(NC(=O)CCc2c(C)nc3cc(C)nn3c2C)n1
InChIInChI=1S/C18H21N5O/c1-11-6-5-7-16(19-11)21-18(24)9-8-15-13(3)20-17-10-12(2)22-23(17)14(15)4/h5-7,10H,8-9H2,1-4H3,(H,19,21,24)
InChIKeyGUVQWYZKYNFKPC-UHFFFAOYSA-N
MW323.40 g/mol
LogP2.93
Rot. Bonds4

About N-(6-methyl-2-pyridinyl)-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide

N-(6-methyl-2-pyridinyl)-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide (PubChem CID 35505375) has the molecular formula C18H21N5O and a molecular weight of 323.40 g/mol. Its IUPAC name is N-(6-methyl-2-pyridinyl)-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide.

Molecular Properties

Compound NameN-(6-methyl-2-pyridinyl)-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide
PubChem CID35505375
Molecular FormulaC18H21N5O
Molecular Weight323.40 g/mol
Exact Mass323.17
IUPAC NameN-(6-methyl-2-pyridinyl)-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide
SMILESCc1cccc(NC(=O)CCc2c(C)nc3cc(C)nn3c2C)n1
InChIInChI=1S/C18H21N5O/c1-11-6-5-7-16(19-11)21-18(24)9-8-15-13(3)20-17-10-12(2)22-23(17)14(15)4/h5-7,10H,8-9H2,1-4H3,(H,19,21,24)
InChIKeyGUVQWYZKYNFKPC-UHFFFAOYSA-N
XLogP2.93
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(6-methyl-2-pyridinyl)-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide?
The IUPAC name of N-(6-methyl-2-pyridinyl)-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide (CID 35505375) is N-(6-methyl-2-pyridinyl)-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide.
What is the SMILES notation for N-(6-methyl-2-pyridinyl)-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide?
The canonical SMILES for N-(6-methyl-2-pyridinyl)-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide is Cc1cccc(NC(=O)CCc2c(C)nc3cc(C)nn3c2C)n1.
What is the InChIKey of N-(6-methyl-2-pyridinyl)-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide?
The InChIKey is GUVQWYZKYNFKPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O/c1-11-6-5-7-16(19-11)21-18(24)9-8-15-13(3)20-17-10-12(2)22-23(17)14(15)4/h5-7,10H,8-9H2,1-4H3,(H,19,21,24).
What are the key properties of N-(6-methyl-2-pyridinyl)-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide?
N-(6-methyl-2-pyridinyl)-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide has a molecular weight of 323.40 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methyl-2-pyridinyl)-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide is sourced from PubChem (CID 35505375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).