4-[[6-(2-methoxyphenyl)pyrimidin-4-yl]amino]-N-pyrrolidin-3-ylbenzamide

C22H23N5O2 — CID 68915590

IUPAC4-[[6-(2-methoxyphenyl)pyrimidin-4-yl]amino]-N-pyrrolidin-3-ylbenzamide
SMILESCOc1ccccc1-c1cc(Nc2ccc(C(=O)NC3CCNC3)cc2)ncn1
InChIInChI=1S/C22H23N5O2/c1-29-20-5-3-2-4-18(20)19-12-21(25-14-24-19)26-16-8-6-15(7-9-16)22(28)27-17-10-11-23-13-17/h2-9,12,14,17,23H,10-11,13H2,1H3,(H,27,28)(H,24,25,26)
InChIKeySTMADJUSCKEIJT-UHFFFAOYSA-N
MW389.46 g/mol
LogP2.99
Rot. Bonds6

About 4-[[6-(2-methoxyphenyl)pyrimidin-4-yl]amino]-N-pyrrolidin-3-ylbenzamide

4-[[6-(2-methoxyphenyl)pyrimidin-4-yl]amino]-N-pyrrolidin-3-ylbenzamide (PubChem CID 68915590) has the molecular formula C22H23N5O2 and a molecular weight of 389.46 g/mol. Its IUPAC name is 4-[[6-(2-methoxyphenyl)pyrimidin-4-yl]amino]-N-pyrrolidin-3-ylbenzamide.

Molecular Properties

Compound Name4-[[6-(2-methoxyphenyl)pyrimidin-4-yl]amino]-N-pyrrolidin-3-ylbenzamide
PubChem CID68915590
Molecular FormulaC22H23N5O2
Molecular Weight389.46 g/mol
Exact Mass389.19
IUPAC Name4-[[6-(2-methoxyphenyl)pyrimidin-4-yl]amino]-N-pyrrolidin-3-ylbenzamide
SMILESCOc1ccccc1-c1cc(Nc2ccc(C(=O)NC3CCNC3)cc2)ncn1
InChIInChI=1S/C22H23N5O2/c1-29-20-5-3-2-4-18(20)19-12-21(25-14-24-19)26-16-8-6-15(7-9-16)22(28)27-17-10-11-23-13-17/h2-9,12,14,17,23H,10-11,13H2,1H3,(H,27,28)(H,24,25,26)
InChIKeySTMADJUSCKEIJT-UHFFFAOYSA-N
XLogP2.99
TPSA88.17 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 52.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4-[[6-(2-methoxyphenyl)pyrimidin-4-yl]amino]-N-pyrrolidin-3-ylbenzamide with MolForge

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Related Compounds

4-[[6-(2-methoxyphenyl)pyrimidin-4-yl]amino]-N-(4-morpholin-4-ylphenyl)benzamide
CID 68913236
N-[4-[[6-(2-methoxyphenyl)pyrimidin-4-yl]amino]phenyl]-2-piperidin-2-ylacetamide
CID 11750428
N-[6-(2-methoxyphenyl)pyrimidin-4-yl]piperidine-3-carboxamide
CID 25227433
[4-[[6-(2-methoxyphenyl)pyrimidin-4-yl]amino]phenyl] 2,2-dimethylpropanoate
CID 174930706
4-[[6-(4-fluorophenyl)pyrimidin-4-yl]amino]-N-(2-methoxyphenyl)benzamide
CID 50783843
3-amino-3-[4-[[6-(2-methoxyphenyl)pyrimidin-4-yl]amino]phenyl]propanamide
CID 68911475
methyl 2-ethoxy-5-[[6-(2-methoxyphenyl)pyrimidin-4-yl]amino]benzoate
CID 144580770
[2-methoxy-5-[[6-(2-methoxyphenyl)pyrimidin-4-yl]amino]phenyl] N,N-dimethylcarbamate
CID 73335147
N-cyclopentyl-4-[[6-(4-methylphenyl)pyrimidin-4-yl]amino]benzamide
CID 50783833
methyl 4-[[6-(2-methoxyphenyl)pyrimidin-4-yl]amino]-3-methylbenzoate
CID 68915808
4-(8-methoxy-4-methylquinolin-2-yl)-N-[(3R)-pyrrolidin-3-yl]benzamide
CID 126436304
4-amino-N-[6-(2-methoxyphenyl)pyrimidin-4-yl]cyclohexane-1-carboxamide
CID 59509083

Frequently Asked Questions

What is the IUPAC name of 4-[[6-(2-methoxyphenyl)pyrimidin-4-yl]amino]-N-pyrrolidin-3-ylbenzamide?
The IUPAC name of 4-[[6-(2-methoxyphenyl)pyrimidin-4-yl]amino]-N-pyrrolidin-3-ylbenzamide (CID 68915590) is 4-[[6-(2-methoxyphenyl)pyrimidin-4-yl]amino]-N-pyrrolidin-3-ylbenzamide.
What is the SMILES notation for 4-[[6-(2-methoxyphenyl)pyrimidin-4-yl]amino]-N-pyrrolidin-3-ylbenzamide?
The canonical SMILES for 4-[[6-(2-methoxyphenyl)pyrimidin-4-yl]amino]-N-pyrrolidin-3-ylbenzamide is COc1ccccc1-c1cc(Nc2ccc(C(=O)NC3CCNC3)cc2)ncn1.
What is the InChIKey of 4-[[6-(2-methoxyphenyl)pyrimidin-4-yl]amino]-N-pyrrolidin-3-ylbenzamide?
The InChIKey is STMADJUSCKEIJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O2/c1-29-20-5-3-2-4-18(20)19-12-21(25-14-24-19)26-16-8-6-15(7-9-16)22(28)27-17-10-11-23-13-17/h2-9,12,14,17,23H,10-11,13H2,1H3,(H,27,28)(H,24,25,26).
What are the key properties of 4-[[6-(2-methoxyphenyl)pyrimidin-4-yl]amino]-N-pyrrolidin-3-ylbenzamide?
4-[[6-(2-methoxyphenyl)pyrimidin-4-yl]amino]-N-pyrrolidin-3-ylbenzamide has a molecular weight of 389.46 g/mol, XLogP of 2.99, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-(2-methoxyphenyl)pyrimidin-4-yl]amino]-N-pyrrolidin-3-ylbenzamide is sourced from PubChem (CID 68915590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).