2-(benzylamino)-7-methyl-N-(pyridin-3-ylmethyl)-5,6-dihydrocyclopenta[d]pyrimidine-7-carboxamide

C22H23N5O — CID 134811259

IUPAC2-(benzylamino)-7-methyl-N-(pyridin-3-ylmethyl)-5,6-dihydrocyclopenta[d]pyrimidine-7-carboxamide
SMILESCC1(C(=O)NCc2cccnc2)CCc2cnc(NCc3ccccc3)nc21
InChIInChI=1S/C22H23N5O/c1-22(20(28)24-14-17-8-5-11-23-12-17)10-9-18-15-26-21(27-19(18)22)25-13-16-6-3-2-4-7-16/h2-8,11-12,15H,9-10,13-14H2,1H3,(H,24,28)(H,25,26,27)
InChIKeyKTHKYLUDONZQAK-UHFFFAOYSA-N
MW373.46 g/mol
LogP3.00
Rot. Bonds6

About 2-(benzylamino)-7-methyl-N-(pyridin-3-ylmethyl)-5,6-dihydrocyclopenta[d]pyrimidine-7-carboxamide

2-(benzylamino)-7-methyl-N-(pyridin-3-ylmethyl)-5,6-dihydrocyclopenta[d]pyrimidine-7-carboxamide (PubChem CID 134811259) has the molecular formula C22H23N5O and a molecular weight of 373.46 g/mol. Its IUPAC name is 2-(benzylamino)-7-methyl-N-(pyridin-3-ylmethyl)-5,6-dihydrocyclopenta[d]pyrimidine-7-carboxamide.

Molecular Properties

Compound Name2-(benzylamino)-7-methyl-N-(pyridin-3-ylmethyl)-5,6-dihydrocyclopenta[d]pyrimidine-7-carboxamide
PubChem CID134811259
Molecular FormulaC22H23N5O
Molecular Weight373.46 g/mol
Exact Mass373.19
IUPAC Name2-(benzylamino)-7-methyl-N-(pyridin-3-ylmethyl)-5,6-dihydrocyclopenta[d]pyrimidine-7-carboxamide
SMILESCC1(C(=O)NCc2cccnc2)CCc2cnc(NCc3ccccc3)nc21
InChIInChI=1S/C22H23N5O/c1-22(20(28)24-14-17-8-5-11-23-12-17)10-9-18-15-26-21(27-19(18)22)25-13-16-6-3-2-4-7-16/h2-8,11-12,15H,9-10,13-14H2,1H3,(H,24,28)(H,25,26,27)
InChIKeyKTHKYLUDONZQAK-UHFFFAOYSA-N
XLogP3.00
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(benzylamino)-7-methyl-N-(2-morpholin-4-ylethyl)-5,6-dihydrocyclopenta[d]pyrimidine-7-carboxamide
CID 134811121
2-(benzylamino)-N-(3-methoxyphenyl)-7-methyl-5,6-dihydrocyclopenta[d]pyrimidine-7-carboxamide
CID 134807776
1-N,1-N'-bis(pyridin-3-ylmethyl)cyclopropane-1,1-dicarboxamide
CID 108976772
(1R,4R)-4,7,7-trimethyl-3-oxo-N-(pyridin-3-ylmethyl)-2-oxabicyclo[2.2.1]heptane-1-carboxamide
CID 6543993
N-(pyridin-3-ylmethyl)-2-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide
CID 109307168
(1S,4R)-3,3-dimethyl-2-methylidene-N-(pyridin-3-ylmethyl)bicyclo[2.2.1]heptane-1-carboxamide
CID 98086101
1-N-propyl-1-N'-(pyridin-3-ylmethyl)cyclopropane-1,1-dicarboxamide
CID 108970227
4-N-benzyl-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 112889409
N-(pyridin-3-ylmethyl)-2-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide
CID 109307312
2-[(4-fluorophenyl)methylamino]-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide
CID 109305502
1-[(E)-N'-hydroxycarbamimidoyl]-N-(pyridin-3-ylmethyl)cyclopropane-1-carboxamide
CID 80591201
1-N-benzyl-4-N-(pyridin-3-ylmethyl)cyclohexane-1,4-dicarboxamide
CID 109147891

Frequently Asked Questions

What is the IUPAC name of 2-(benzylamino)-7-methyl-N-(pyridin-3-ylmethyl)-5,6-dihydrocyclopenta[d]pyrimidine-7-carboxamide?
The IUPAC name of 2-(benzylamino)-7-methyl-N-(pyridin-3-ylmethyl)-5,6-dihydrocyclopenta[d]pyrimidine-7-carboxamide (CID 134811259) is 2-(benzylamino)-7-methyl-N-(pyridin-3-ylmethyl)-5,6-dihydrocyclopenta[d]pyrimidine-7-carboxamide.
What is the SMILES notation for 2-(benzylamino)-7-methyl-N-(pyridin-3-ylmethyl)-5,6-dihydrocyclopenta[d]pyrimidine-7-carboxamide?
The canonical SMILES for 2-(benzylamino)-7-methyl-N-(pyridin-3-ylmethyl)-5,6-dihydrocyclopenta[d]pyrimidine-7-carboxamide is CC1(C(=O)NCc2cccnc2)CCc2cnc(NCc3ccccc3)nc21.
What is the InChIKey of 2-(benzylamino)-7-methyl-N-(pyridin-3-ylmethyl)-5,6-dihydrocyclopenta[d]pyrimidine-7-carboxamide?
The InChIKey is KTHKYLUDONZQAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O/c1-22(20(28)24-14-17-8-5-11-23-12-17)10-9-18-15-26-21(27-19(18)22)25-13-16-6-3-2-4-7-16/h2-8,11-12,15H,9-10,13-14H2,1H3,(H,24,28)(H,25,26,27).
What are the key properties of 2-(benzylamino)-7-methyl-N-(pyridin-3-ylmethyl)-5,6-dihydrocyclopenta[d]pyrimidine-7-carboxamide?
2-(benzylamino)-7-methyl-N-(pyridin-3-ylmethyl)-5,6-dihydrocyclopenta[d]pyrimidine-7-carboxamide has a molecular weight of 373.46 g/mol, XLogP of 3.00, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzylamino)-7-methyl-N-(pyridin-3-ylmethyl)-5,6-dihydrocyclopenta[d]pyrimidine-7-carboxamide is sourced from PubChem (CID 134811259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).