N-methyl-3-[[[3-(pyrimidin-2-ylamino)benzoyl]amino]methyl]benzamide

C20H19N5O2 — CID 32919336

IUPACN-methyl-3-[[[3-(pyrimidin-2-ylamino)benzoyl]amino]methyl]benzamide
SMILESCNC(=O)c1cccc(CNC(=O)c2cccc(Nc3ncccn3)c2)c1
InChIInChI=1S/C20H19N5O2/c1-21-18(26)15-6-2-5-14(11-15)13-24-19(27)16-7-3-8-17(12-16)25-20-22-9-4-10-23-20/h2-12H,13H2,1H3,(H,21,26)(H,24,27)(H,22,23,25)
InChIKeyXESSOXQJYYQFQQ-UHFFFAOYSA-N
MW361.41 g/mol
LogP2.51
Rot. Bonds6

About N-methyl-3-[[[3-(pyrimidin-2-ylamino)benzoyl]amino]methyl]benzamide

N-methyl-3-[[[3-(pyrimidin-2-ylamino)benzoyl]amino]methyl]benzamide (PubChem CID 32919336) has the molecular formula C20H19N5O2 and a molecular weight of 361.41 g/mol. Its IUPAC name is N-methyl-3-[[[3-(pyrimidin-2-ylamino)benzoyl]amino]methyl]benzamide.

Molecular Properties

Compound NameN-methyl-3-[[[3-(pyrimidin-2-ylamino)benzoyl]amino]methyl]benzamide
PubChem CID32919336
Molecular FormulaC20H19N5O2
Molecular Weight361.41 g/mol
Exact Mass361.15
IUPAC NameN-methyl-3-[[[3-(pyrimidin-2-ylamino)benzoyl]amino]methyl]benzamide
SMILESCNC(=O)c1cccc(CNC(=O)c2cccc(Nc3ncccn3)c2)c1
InChIInChI=1S/C20H19N5O2/c1-21-18(26)15-6-2-5-14(11-15)13-24-19(27)16-7-3-8-17(12-16)25-20-22-9-4-10-23-20/h2-12H,13H2,1H3,(H,21,26)(H,24,27)(H,22,23,25)
InChIKeyXESSOXQJYYQFQQ-UHFFFAOYSA-N
XLogP2.51
TPSA96.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.41
LogP ≤ 52.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-acetamidophenyl)methyl]-3-(pyrimidin-2-ylamino)benzamide
CID 39575052
N-(pyridin-2-ylmethyl)-3-(pyrimidin-2-ylamino)benzamide
CID 31860864
ethyl (E)-3-[3-[[[3-(pyrimidin-2-ylamino)benzoyl]amino]methyl]phenyl]prop-2-enoate
CID 70111029
3-amino-N-[[3-(methylcarbamoyl)phenyl]methyl]pyrazine-2-carboxamide
CID 32916582
1-[3-(pyrimidin-2-ylamino)phenyl]ethanone
CID 115028227
N-methoxy-3-(pyrimidin-2-ylamino)benzamide
CID 38013437
N-[2-(4-fluorophenyl)ethyl]-3-(pyrimidin-2-ylamino)benzamide
CID 35439149
N-benzyl-3-(pyrazin-2-ylamino)benzamide
CID 117091377
N-benzyl-2-(3-bromoanilino)pyrimidine-5-carboxamide
CID 109255341
N-methyl-3-[[(2-pyridin-3-yloxyacetyl)amino]methyl]benzamide
CID 91828637
methyl 3-[[4-[(3-methylphenyl)methylcarbamoyl]pyrimidin-2-yl]amino]benzoate
CID 109304412
N-[3-[[3-(methylcarbamoyl)phenyl]methylcarbamoyl]phenyl]oxolane-2-carboxamide
CID 46592689

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[[[3-(pyrimidin-2-ylamino)benzoyl]amino]methyl]benzamide?
The IUPAC name of N-methyl-3-[[[3-(pyrimidin-2-ylamino)benzoyl]amino]methyl]benzamide (CID 32919336) is N-methyl-3-[[[3-(pyrimidin-2-ylamino)benzoyl]amino]methyl]benzamide.
What is the SMILES notation for N-methyl-3-[[[3-(pyrimidin-2-ylamino)benzoyl]amino]methyl]benzamide?
The canonical SMILES for N-methyl-3-[[[3-(pyrimidin-2-ylamino)benzoyl]amino]methyl]benzamide is CNC(=O)c1cccc(CNC(=O)c2cccc(Nc3ncccn3)c2)c1.
What is the InChIKey of N-methyl-3-[[[3-(pyrimidin-2-ylamino)benzoyl]amino]methyl]benzamide?
The InChIKey is XESSOXQJYYQFQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O2/c1-21-18(26)15-6-2-5-14(11-15)13-24-19(27)16-7-3-8-17(12-16)25-20-22-9-4-10-23-20/h2-12H,13H2,1H3,(H,21,26)(H,24,27)(H,22,23,25).
What are the key properties of N-methyl-3-[[[3-(pyrimidin-2-ylamino)benzoyl]amino]methyl]benzamide?
N-methyl-3-[[[3-(pyrimidin-2-ylamino)benzoyl]amino]methyl]benzamide has a molecular weight of 361.41 g/mol, XLogP of 2.51, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[[[3-(pyrimidin-2-ylamino)benzoyl]amino]methyl]benzamide is sourced from PubChem (CID 32919336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).