N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-5-methyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide

C18H25N5O2 — CID 50971649

IUPACN-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-5-methyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide
SMILESCOc1nc(C)cc(C)c1CNC(=O)c1cc2n(n1)CCCN(C)C2
InChIInChI=1S/C18H25N5O2/c1-12-8-13(2)20-18(25-4)15(12)10-19-17(24)16-9-14-11-22(3)6-5-7-23(14)21-16/h8-9H,5-7,10-11H2,1-4H3,(H,19,24)
InChIKeyCIZWWRHNUMZKMQ-UHFFFAOYSA-N
MW343.43 g/mol
LogP1.67
Rot. Bonds4

About N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-5-methyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide

N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-5-methyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide (PubChem CID 50971649) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-5-methyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide.

Molecular Properties

Compound NameN-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-5-methyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide
PubChem CID50971649
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC NameN-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-5-methyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide
SMILESCOc1nc(C)cc(C)c1CNC(=O)c1cc2n(n1)CCCN(C)C2
InChIInChI=1S/C18H25N5O2/c1-12-8-13(2)20-18(25-4)15(12)10-19-17(24)16-9-14-11-22(3)6-5-7-23(14)21-16/h8-9H,5-7,10-11H2,1-4H3,(H,19,24)
InChIKeyCIZWWRHNUMZKMQ-UHFFFAOYSA-N
XLogP1.67
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-5-methyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide with MolForge

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Related Compounds

ethane;5-methyl-N-sulfanyloxy-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide
CID 170601717
2-(2-hydroxyethyl)-N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]pyrazole-3-carboxamide
CID 91776501
N-[(2-imidazol-1-ylphenyl)methyl]-5-methyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide
CID 50983614
N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-5-methyl-1,3,4-oxadiazole-2-carboxamide
CID 146144337
trans-(1R,2R)-N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-2-pyridin-4-ylcyclopropane-1-carboxamide
CID 138008683
(1S)-N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 95189619
2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]acetamide
CID 50950633
N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-2-(3-oxopiperazin-1-yl)acetamide
CID 91779133
(2S)-2-(dimethylamino)-N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-3-methylbutanamide
CID 136580567
N'-cyclopentyl-N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]butanediamide
CID 46991930
1-(furan-2-ylmethyl)-N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]piperidine-3-carboxamide
CID 72899598
(3R)-1-(furan-2-ylmethyl)-N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]piperidine-3-carboxamide
CID 97279288

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-5-methyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide?
The IUPAC name of N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-5-methyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide (CID 50971649) is N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-5-methyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide.
What is the SMILES notation for N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-5-methyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide?
The canonical SMILES for N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-5-methyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide is COc1nc(C)cc(C)c1CNC(=O)c1cc2n(n1)CCCN(C)C2.
What is the InChIKey of N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-5-methyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide?
The InChIKey is CIZWWRHNUMZKMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O2/c1-12-8-13(2)20-18(25-4)15(12)10-19-17(24)16-9-14-11-22(3)6-5-7-23(14)21-16/h8-9H,5-7,10-11H2,1-4H3,(H,19,24).
What are the key properties of N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-5-methyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide?
N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-5-methyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide has a molecular weight of 343.43 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-5-methyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide is sourced from PubChem (CID 50971649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).