2-chloro-N-methyl-5-[(1R,2R)-2-(2-pyrimidin-2-ylpyrimidin-5-yl)cyclopropyl]benzamide

C19H16ClN5O — CID 155780354

IUPAC2-chloro-N-methyl-5-[(1R,2R)-2-(2-pyrimidin-2-ylpyrimidin-5-yl)cyclopropyl]benzamide
SMILESCNC(=O)c1cc([C@@H]2C[C@H]2c2cnc(-c3ncccn3)nc2)ccc1Cl
InChIInChI=1S/C19H16ClN5O/c1-21-19(26)15-7-11(3-4-16(15)20)13-8-14(13)12-9-24-18(25-10-12)17-22-5-2-6-23-17/h2-7,9-10,13-14H,8H2,1H3,(H,21,26)/t13-,14-/m0/s1
InChIKeyTXWSTEHMMAACMB-KBPBESRZSA-N
MW365.82 g/mol
LogP3.22
Rot. Bonds4

About 2-chloro-N-methyl-5-[(1R,2R)-2-(2-pyrimidin-2-ylpyrimidin-5-yl)cyclopropyl]benzamide

2-chloro-N-methyl-5-[(1R,2R)-2-(2-pyrimidin-2-ylpyrimidin-5-yl)cyclopropyl]benzamide (PubChem CID 155780354) has the molecular formula C19H16ClN5O and a molecular weight of 365.82 g/mol. Its IUPAC name is 2-chloro-N-methyl-5-[(1R,2R)-2-(2-pyrimidin-2-ylpyrimidin-5-yl)cyclopropyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-methyl-5-[(1R,2R)-2-(2-pyrimidin-2-ylpyrimidin-5-yl)cyclopropyl]benzamide
PubChem CID155780354
Molecular FormulaC19H16ClN5O
Molecular Weight365.82 g/mol
Exact Mass365.10
IUPAC Name2-chloro-N-methyl-5-[(1R,2R)-2-(2-pyrimidin-2-ylpyrimidin-5-yl)cyclopropyl]benzamide
SMILESCNC(=O)c1cc([C@@H]2C[C@H]2c2cnc(-c3ncccn3)nc2)ccc1Cl
InChIInChI=1S/C19H16ClN5O/c1-21-19(26)15-7-11(3-4-16(15)20)13-8-14(13)12-9-24-18(25-10-12)17-22-5-2-6-23-17/h2-7,9-10,13-14H,8H2,1H3,(H,21,26)/t13-,14-/m0/s1
InChIKeyTXWSTEHMMAACMB-KBPBESRZSA-N
XLogP3.22
TPSA80.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.82
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-N,N-dimethyl-5-[2-(2-pyrimidin-2-ylpyrimidin-5-yl)cyclopropyl]benzamide
CID 155780337
5-[(1R,2R)-2-(4-chloro-2,3-dimethoxyphenyl)cyclopropyl]-2-pyrimidin-2-ylpyrimidine
CID 155779917
6-[[2-(3,4-dichlorophenyl)cyclopropyl]amino]-N-methylpyridazine-3-carboxamide
CID 133329234
2,5-dichloro-N-[3-(methylcarbamoyl)phenyl]pyridine-4-carboxamide
CID 114917538
2-chloro-N-methyl-5-pyridin-4-ylbenzamide
CID 28809932
5-chloro-N-[4-chloro-3-(methylcarbamoyl)phenyl]pyrazine-2-carboxamide
CID 103817189
2,5-dichloro-N-[4-(methylcarbamoyl)phenyl]pyridine-4-carboxamide
CID 114917530
3-amino-N-[4-chloro-3-(methylcarbamoyl)phenyl]pyridine-2-carboxamide
CID 104741490
2-amino-5-chloro-N-methylpyridine-4-carboxamide
CID 114921748
2-chloro-5-[(4-cyclohexylbenzoyl)amino]-N-methylbenzamide
CID 52666272
5-tert-butyl-2-chloro-N-methylbenzamide
CID 59485577
3-chloro-N-methylnaphthalene-2-carboxamide
CID 133063253

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-methyl-5-[(1R,2R)-2-(2-pyrimidin-2-ylpyrimidin-5-yl)cyclopropyl]benzamide?
The IUPAC name of 2-chloro-N-methyl-5-[(1R,2R)-2-(2-pyrimidin-2-ylpyrimidin-5-yl)cyclopropyl]benzamide (CID 155780354) is 2-chloro-N-methyl-5-[(1R,2R)-2-(2-pyrimidin-2-ylpyrimidin-5-yl)cyclopropyl]benzamide.
What is the SMILES notation for 2-chloro-N-methyl-5-[(1R,2R)-2-(2-pyrimidin-2-ylpyrimidin-5-yl)cyclopropyl]benzamide?
The canonical SMILES for 2-chloro-N-methyl-5-[(1R,2R)-2-(2-pyrimidin-2-ylpyrimidin-5-yl)cyclopropyl]benzamide is CNC(=O)c1cc([C@@H]2C[C@H]2c2cnc(-c3ncccn3)nc2)ccc1Cl.
What is the InChIKey of 2-chloro-N-methyl-5-[(1R,2R)-2-(2-pyrimidin-2-ylpyrimidin-5-yl)cyclopropyl]benzamide?
The InChIKey is TXWSTEHMMAACMB-KBPBESRZSA-N. The full InChI is InChI=1S/C19H16ClN5O/c1-21-19(26)15-7-11(3-4-16(15)20)13-8-14(13)12-9-24-18(25-10-12)17-22-5-2-6-23-17/h2-7,9-10,13-14H,8H2,1H3,(H,21,26)/t13-,14-/m0/s1.
What are the key properties of 2-chloro-N-methyl-5-[(1R,2R)-2-(2-pyrimidin-2-ylpyrimidin-5-yl)cyclopropyl]benzamide?
2-chloro-N-methyl-5-[(1R,2R)-2-(2-pyrimidin-2-ylpyrimidin-5-yl)cyclopropyl]benzamide has a molecular weight of 365.82 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-methyl-5-[(1R,2R)-2-(2-pyrimidin-2-ylpyrimidin-5-yl)cyclopropyl]benzamide is sourced from PubChem (CID 155780354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).