N-[[4-[2-(dimethylamino)-5-pyridin-2-ylpyrimidin-4-yl]phenyl]methyl]bicyclo[4.1.0]heptane-7-carboxamide

C26H29N5O — CID 110238436

IUPACN-[[4-[2-(dimethylamino)-5-pyridin-2-ylpyrimidin-4-yl]phenyl]methyl]bicyclo[4.1.0]heptane-7-carboxamide
SMILESCN(C)c1ncc(-c2ccccn2)c(-c2ccc(CNC(=O)C3C4CCCCC43)cc2)n1
InChIInChI=1S/C26H29N5O/c1-31(2)26-29-16-21(22-9-5-6-14-27-22)24(30-26)18-12-10-17(11-13-18)15-28-25(32)23-19-7-3-4-8-20(19)23/h5-6,9-14,16,19-20,23H,3-4,7-8,15H2,1-2H3,(H,28,32)
InChIKeyWLZYGNWOFGFJEX-UHFFFAOYSA-N
MW427.55 g/mol
LogP4.32
Rot. Bonds6

About N-[[4-[2-(dimethylamino)-5-pyridin-2-ylpyrimidin-4-yl]phenyl]methyl]bicyclo[4.1.0]heptane-7-carboxamide

N-[[4-[2-(dimethylamino)-5-pyridin-2-ylpyrimidin-4-yl]phenyl]methyl]bicyclo[4.1.0]heptane-7-carboxamide (PubChem CID 110238436) has the molecular formula C26H29N5O and a molecular weight of 427.55 g/mol. Its IUPAC name is N-[[4-[2-(dimethylamino)-5-pyridin-2-ylpyrimidin-4-yl]phenyl]methyl]bicyclo[4.1.0]heptane-7-carboxamide.

Molecular Properties

Compound NameN-[[4-[2-(dimethylamino)-5-pyridin-2-ylpyrimidin-4-yl]phenyl]methyl]bicyclo[4.1.0]heptane-7-carboxamide
PubChem CID110238436
Molecular FormulaC26H29N5O
Molecular Weight427.55 g/mol
Exact Mass427.24
IUPAC NameN-[[4-[2-(dimethylamino)-5-pyridin-2-ylpyrimidin-4-yl]phenyl]methyl]bicyclo[4.1.0]heptane-7-carboxamide
SMILESCN(C)c1ncc(-c2ccccn2)c(-c2ccc(CNC(=O)C3C4CCCCC43)cc2)n1
InChIInChI=1S/C26H29N5O/c1-31(2)26-29-16-21(22-9-5-6-14-27-22)24(30-26)18-12-10-17(11-13-18)15-28-25(32)23-19-7-3-4-8-20(19)23/h5-6,9-14,16,19-20,23H,3-4,7-8,15H2,1-2H3,(H,28,32)
InChIKeyWLZYGNWOFGFJEX-UHFFFAOYSA-N
XLogP4.32
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.55
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[4-[2-(dimethylamino)-5-pyridin-2-ylpyrimidin-4-yl]phenyl]methyl]bicyclo[4.1.0]heptane-7-carboxamide with MolForge

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Related Compounds

(1S,2R,4R,5S)-N-[[4-[2-(dimethylamino)-5-pyridin-2-ylpyrimidin-4-yl]phenyl]methyl]tricyclo[3.2.1.02,4]octane-3-carboxamide
CID 124819895
N-[[4-[2-(dimethylamino)-5-(3,4-dimethyl-1,2-oxazol-5-yl)pyrimidin-4-yl]phenyl]methyl]cyclopropanecarboxamide
CID 92597109
cis-(1R,2S)-N-[[4-[2-(dimethylamino)-5-(3,4-dimethyl-1,2-oxazol-5-yl)pyrimidin-4-yl]phenyl]methyl]-2-methylcyclopropane-1-carboxamide
CID 92597117
(3S)-1-tert-butyl-N-[[4-(2-methyl-5-pyridin-2-ylpyrimidin-4-yl)phenyl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 92565387
N-[(4-hydroxyphenyl)methyl]bicyclo[4.1.0]heptane-7-carboxamide
CID 115681918
N-[[4-[2-(dimethylamino)-5-pyridin-2-ylpyrimidin-4-yl]cyclohexyl]methyl]oxolane-2-carboxamide
CID 110217350
N-[[4-[2-(dimethylamino)-5-pyridin-2-ylpyrimidin-4-yl]cyclohexyl]methyl]-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 110217352
N-[[4-[2-(dimethylamino)-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]phenyl]methyl]-2-(3-methylphenyl)acetamide
CID 92560772
3-[2-(dimethylamino)-4-[1-[2-oxo-2-(pyridin-2-ylmethylamino)ethyl]piperidin-2-yl]pyrimidin-5-yl]benzamide
CID 110122693
2-oxo-N-[(4-pyridin-2-ylphenyl)methyl]propanamide
CID 110478301
2-[(3S)-3-[2-(dimethylamino)-5-(4-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 92617482
N-methyl-N-[[(2S)-oxan-2-yl]methyl]-2-pyridin-2-ylpyrimidine-5-carboxamide
CID 95551213

Frequently Asked Questions

What is the IUPAC name of N-[[4-[2-(dimethylamino)-5-pyridin-2-ylpyrimidin-4-yl]phenyl]methyl]bicyclo[4.1.0]heptane-7-carboxamide?
The IUPAC name of N-[[4-[2-(dimethylamino)-5-pyridin-2-ylpyrimidin-4-yl]phenyl]methyl]bicyclo[4.1.0]heptane-7-carboxamide (CID 110238436) is N-[[4-[2-(dimethylamino)-5-pyridin-2-ylpyrimidin-4-yl]phenyl]methyl]bicyclo[4.1.0]heptane-7-carboxamide.
What is the SMILES notation for N-[[4-[2-(dimethylamino)-5-pyridin-2-ylpyrimidin-4-yl]phenyl]methyl]bicyclo[4.1.0]heptane-7-carboxamide?
The canonical SMILES for N-[[4-[2-(dimethylamino)-5-pyridin-2-ylpyrimidin-4-yl]phenyl]methyl]bicyclo[4.1.0]heptane-7-carboxamide is CN(C)c1ncc(-c2ccccn2)c(-c2ccc(CNC(=O)C3C4CCCCC43)cc2)n1.
What is the InChIKey of N-[[4-[2-(dimethylamino)-5-pyridin-2-ylpyrimidin-4-yl]phenyl]methyl]bicyclo[4.1.0]heptane-7-carboxamide?
The InChIKey is WLZYGNWOFGFJEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N5O/c1-31(2)26-29-16-21(22-9-5-6-14-27-22)24(30-26)18-12-10-17(11-13-18)15-28-25(32)23-19-7-3-4-8-20(19)23/h5-6,9-14,16,19-20,23H,3-4,7-8,15H2,1-2H3,(H,28,32).
What are the key properties of N-[[4-[2-(dimethylamino)-5-pyridin-2-ylpyrimidin-4-yl]phenyl]methyl]bicyclo[4.1.0]heptane-7-carboxamide?
N-[[4-[2-(dimethylamino)-5-pyridin-2-ylpyrimidin-4-yl]phenyl]methyl]bicyclo[4.1.0]heptane-7-carboxamide has a molecular weight of 427.55 g/mol, XLogP of 4.32, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[2-(dimethylamino)-5-pyridin-2-ylpyrimidin-4-yl]phenyl]methyl]bicyclo[4.1.0]heptane-7-carboxamide is sourced from PubChem (CID 110238436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).