2-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methylamino]-5,6-dimethylpyridine-3-carboxamide

C18H25N5O — CID 134707248

IUPAC2-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methylamino]-5,6-dimethylpyridine-3-carboxamide
SMILESCc1cc(C)n(CC2(CNc3nc(C)c(C)cc3C(N)=O)CC2)n1
InChIInChI=1S/C18H25N5O/c1-11-7-15(16(19)24)17(21-14(11)4)20-9-18(5-6-18)10-23-13(3)8-12(2)22-23/h7-8H,5-6,9-10H2,1-4H3,(H2,19,24)(H,20,21)
InChIKeyDWRBXERPGSRLAQ-UHFFFAOYSA-N
MW327.43 g/mol
LogP2.50
Rot. Bonds6

About 2-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methylamino]-5,6-dimethylpyridine-3-carboxamide

2-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methylamino]-5,6-dimethylpyridine-3-carboxamide (PubChem CID 134707248) has the molecular formula C18H25N5O and a molecular weight of 327.43 g/mol. Its IUPAC name is 2-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methylamino]-5,6-dimethylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methylamino]-5,6-dimethylpyridine-3-carboxamide
PubChem CID134707248
Molecular FormulaC18H25N5O
Molecular Weight327.43 g/mol
Exact Mass327.21
IUPAC Name2-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methylamino]-5,6-dimethylpyridine-3-carboxamide
SMILESCc1cc(C)n(CC2(CNc3nc(C)c(C)cc3C(N)=O)CC2)n1
InChIInChI=1S/C18H25N5O/c1-11-7-15(16(19)24)17(21-14(11)4)20-9-18(5-6-18)10-23-13(3)8-12(2)22-23/h7-8H,5-6,9-10H2,1-4H3,(H2,19,24)(H,20,21)
InChIKeyDWRBXERPGSRLAQ-UHFFFAOYSA-N
XLogP2.50
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]-2-(2-oxopyrrolidin-1-yl)propanamide
CID 77080131
(1S,3R,4R)-3-amino-N-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]-4-hydroxycyclohexane-1-carboxamide;hydrochloride
CID 155939781
1-[[1-(bromomethyl)cyclopropyl]methyl]-3,5-dimethylpyrazole
CID 65008892
N-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide
CID 74241544
5-[(1R)-1-amino-2-phenylethyl]-N-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]-1,3,4-oxadiazol-2-amine;hydrochloride
CID 154917551
6-chloro-3-[(1-propylcyclopropyl)methylamino]pyridazine-4-carboxamide
CID 133380543
N-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]-1,3-dimethylindole-2-carboxamide
CID 77081747
N-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]-2-methyl-6-(oxolan-3-yl)pyrimidin-4-amine
CID 118782464
N-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]-6-(1,2,4-triazol-4-yl)pyridine-3-carboxamide
CID 74230830
N-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]-6-methoxy-1-methylindole-2-carboxamide
CID 77085723
5-amino-2-[3-(3,5-dimethylpyrazol-1-yl)propylamino]pyridine-3-carboxamide
CID 114536234
N-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]-4-(2-oxopiperidin-1-yl)butanamide
CID 131897807

Frequently Asked Questions

What is the IUPAC name of 2-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methylamino]-5,6-dimethylpyridine-3-carboxamide?
The IUPAC name of 2-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methylamino]-5,6-dimethylpyridine-3-carboxamide (CID 134707248) is 2-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methylamino]-5,6-dimethylpyridine-3-carboxamide.
What is the SMILES notation for 2-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methylamino]-5,6-dimethylpyridine-3-carboxamide?
The canonical SMILES for 2-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methylamino]-5,6-dimethylpyridine-3-carboxamide is Cc1cc(C)n(CC2(CNc3nc(C)c(C)cc3C(N)=O)CC2)n1.
What is the InChIKey of 2-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methylamino]-5,6-dimethylpyridine-3-carboxamide?
The InChIKey is DWRBXERPGSRLAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O/c1-11-7-15(16(19)24)17(21-14(11)4)20-9-18(5-6-18)10-23-13(3)8-12(2)22-23/h7-8H,5-6,9-10H2,1-4H3,(H2,19,24)(H,20,21).
What are the key properties of 2-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methylamino]-5,6-dimethylpyridine-3-carboxamide?
2-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methylamino]-5,6-dimethylpyridine-3-carboxamide has a molecular weight of 327.43 g/mol, XLogP of 2.50, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methylamino]-5,6-dimethylpyridine-3-carboxamide is sourced from PubChem (CID 134707248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).