N-[[2-(diethylamino)-3-pyridinyl]methyl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide

C18H22N6O — CID 56748172

IUPACN-[[2-(diethylamino)-3-pyridinyl]methyl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCN(CC)c1ncccc1CNC(=O)c1cnn2cc(C)cnc12
InChIInChI=1S/C18H22N6O/c1-4-23(5-2)16-14(7-6-8-19-16)10-21-18(25)15-11-22-24-12-13(3)9-20-17(15)24/h6-9,11-12H,4-5,10H2,1-3H3,(H,21,25)
InChIKeyUWQAGHBXBYSMKT-UHFFFAOYSA-N
MW338.42 g/mol
LogP2.21
Rot. Bonds6

About N-[[2-(diethylamino)-3-pyridinyl]methyl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[[2-(diethylamino)-3-pyridinyl]methyl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 56748172) has the molecular formula C18H22N6O and a molecular weight of 338.42 g/mol. Its IUPAC name is N-[[2-(diethylamino)-3-pyridinyl]methyl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[[2-(diethylamino)-3-pyridinyl]methyl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID56748172
Molecular FormulaC18H22N6O
Molecular Weight338.42 g/mol
Exact Mass338.19
IUPAC NameN-[[2-(diethylamino)-3-pyridinyl]methyl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCN(CC)c1ncccc1CNC(=O)c1cnn2cc(C)cnc12
InChIInChI=1S/C18H22N6O/c1-4-23(5-2)16-14(7-6-8-19-16)10-21-18(25)15-11-22-24-12-13(3)9-20-17(15)24/h6-9,11-12H,4-5,10H2,1-3H3,(H,21,25)
InChIKeyUWQAGHBXBYSMKT-UHFFFAOYSA-N
XLogP2.21
TPSA75.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.42
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[2-(diethylamino)-3-pyridinyl]methyl]-1-methyl-6-oxopyridine-3-carboxamide
CID 56744678
N,6-dimethyl-N-[(2S)-1-(3-methyl-2-pyridinyl)propan-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 95509735
N,6-dimethyl-N-[1-(3-methyl-2-pyridinyl)propan-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 56865935
N-[[2-(diethylamino)-3-pyridinyl]methyl]-2-pyridin-4-ylacetamide
CID 42520251
N-[[2-(diethylamino)-3-pyridinyl]methyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 56706974
1-[[2-(diethylamino)-3-pyridinyl]methyl]-3-propylurea
CID 26318583
6-(diethylaminomethyl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 56738525
(2S)-N-[[2-(diethylamino)-3-pyridinyl]methyl]-2-(2-methylimidazol-1-yl)propanamide
CID 95226094
6-methyl-N-(2-piperidin-1-yl-2-pyridin-3-ylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 74236670
methyl 6-methylpyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 129298169
N-[(8-methoxyquinolin-5-yl)methyl]-N,6-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 74242304
6-(diethylaminomethyl)-N-(furan-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 56756831

Frequently Asked Questions

What is the IUPAC name of N-[[2-(diethylamino)-3-pyridinyl]methyl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[[2-(diethylamino)-3-pyridinyl]methyl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 56748172) is N-[[2-(diethylamino)-3-pyridinyl]methyl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[[2-(diethylamino)-3-pyridinyl]methyl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[[2-(diethylamino)-3-pyridinyl]methyl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide is CCN(CC)c1ncccc1CNC(=O)c1cnn2cc(C)cnc12.
What is the InChIKey of N-[[2-(diethylamino)-3-pyridinyl]methyl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is UWQAGHBXBYSMKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6O/c1-4-23(5-2)16-14(7-6-8-19-16)10-21-18(25)15-11-22-24-12-13(3)9-20-17(15)24/h6-9,11-12H,4-5,10H2,1-3H3,(H,21,25).
What are the key properties of N-[[2-(diethylamino)-3-pyridinyl]methyl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[[2-(diethylamino)-3-pyridinyl]methyl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 338.42 g/mol, XLogP of 2.21, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(diethylamino)-3-pyridinyl]methyl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 56748172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).