3-chloro-N-[[(2S,4S)-4-methoxy-1-(6-methylpyrimidin-4-yl)pyrrolidin-2-yl]methyl]-2-methylbenzamide

C19H23ClN4O2 — CID 146115669

IUPAC3-chloro-N-[[(2S,4S)-4-methoxy-1-(6-methylpyrimidin-4-yl)pyrrolidin-2-yl]methyl]-2-methylbenzamide
SMILESCO[C@H]1C[C@@H](CNC(=O)c2cccc(Cl)c2C)N(c2cc(C)ncn2)C1
InChIInChI=1S/C19H23ClN4O2/c1-12-7-18(23-11-22-12)24-10-15(26-3)8-14(24)9-21-19(25)16-5-4-6-17(20)13(16)2/h4-7,11,14-15H,8-10H2,1-3H3,(H,21,25)/t14-,15-/m0/s1
InChIKeyVUTZRKLVGHOFTM-GJZGRUSLSA-N
MW374.87 g/mol
LogP2.77
Rot. Bonds5

About 3-chloro-N-[[(2S,4S)-4-methoxy-1-(6-methylpyrimidin-4-yl)pyrrolidin-2-yl]methyl]-2-methylbenzamide

3-chloro-N-[[(2S,4S)-4-methoxy-1-(6-methylpyrimidin-4-yl)pyrrolidin-2-yl]methyl]-2-methylbenzamide (PubChem CID 146115669) has the molecular formula C19H23ClN4O2 and a molecular weight of 374.87 g/mol. Its IUPAC name is 3-chloro-N-[[(2S,4S)-4-methoxy-1-(6-methylpyrimidin-4-yl)pyrrolidin-2-yl]methyl]-2-methylbenzamide.

Molecular Properties

Compound Name3-chloro-N-[[(2S,4S)-4-methoxy-1-(6-methylpyrimidin-4-yl)pyrrolidin-2-yl]methyl]-2-methylbenzamide
PubChem CID146115669
Molecular FormulaC19H23ClN4O2
Molecular Weight374.87 g/mol
Exact Mass374.15
IUPAC Name3-chloro-N-[[(2S,4S)-4-methoxy-1-(6-methylpyrimidin-4-yl)pyrrolidin-2-yl]methyl]-2-methylbenzamide
SMILESCO[C@H]1C[C@@H](CNC(=O)c2cccc(Cl)c2C)N(c2cc(C)ncn2)C1
InChIInChI=1S/C19H23ClN4O2/c1-12-7-18(23-11-22-12)24-10-15(26-3)8-14(24)9-21-19(25)16-5-4-6-17(20)13(16)2/h4-7,11,14-15H,8-10H2,1-3H3,(H,21,25)/t14-,15-/m0/s1
InChIKeyVUTZRKLVGHOFTM-GJZGRUSLSA-N
XLogP2.77
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.87
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

8-hydroxy-N-[[(2S,4S)-4-methoxy-1-(6-methylpyrimidin-4-yl)pyrrolidin-2-yl]methyl]naphthalene-1-carboxamide
CID 146115761
N-[[(2S,4S)-4-methoxy-1-(6-methylpyrimidin-4-yl)pyrrolidin-2-yl]methyl]-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 146115665
(3-chloro-2-methylphenyl)-[(2S,4R)-4-methoxy-2-(1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]methanone
CID 128985182
N-[[2-(bromomethyl)cyclohexyl]methyl]-3-chloro-2-methylbenzamide
CID 107100189
3-chloro-2-methyl-N-(piperidin-2-ylmethyl)benzamide
CID 107098061
3-chloro-N-methoxy-2-methylbenzamide
CID 107097630
3-chloro-N-(3-hydroxy-4-methoxybutyl)-2-methylbenzamide
CID 107168176
N-[[(2R,4R)-1-(6-aminopyrimidin-4-yl)-4-methoxypyrrolidin-2-yl]methyl]-N'-[[2-[4-(4-fluorophenyl)piperazin-1-yl]-4-pyridinyl]methyl]oxamide
CID 167841828
4-chloro-N-(cyclopropylmethyl)-6-methylpyridine-3-carboxamide
CID 81225290
1-[(3-chloro-2-methylphenyl)carbamoyl]-4-methoxypyrrolidine-2-carboxylic acid
CID 61181381
(2S,4S)-1-(3-chloro-2-pyridinyl)-4-methoxypyrrolidine-2-carboxamide
CID 128978229
6-[[(2R,4R)-4-methoxy-1-pyrimidin-4-ylpyrrolidin-2-yl]methylamino]-2-methylpyridazin-3-one
CID 167973639

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[[(2S,4S)-4-methoxy-1-(6-methylpyrimidin-4-yl)pyrrolidin-2-yl]methyl]-2-methylbenzamide?
The IUPAC name of 3-chloro-N-[[(2S,4S)-4-methoxy-1-(6-methylpyrimidin-4-yl)pyrrolidin-2-yl]methyl]-2-methylbenzamide (CID 146115669) is 3-chloro-N-[[(2S,4S)-4-methoxy-1-(6-methylpyrimidin-4-yl)pyrrolidin-2-yl]methyl]-2-methylbenzamide.
What is the SMILES notation for 3-chloro-N-[[(2S,4S)-4-methoxy-1-(6-methylpyrimidin-4-yl)pyrrolidin-2-yl]methyl]-2-methylbenzamide?
The canonical SMILES for 3-chloro-N-[[(2S,4S)-4-methoxy-1-(6-methylpyrimidin-4-yl)pyrrolidin-2-yl]methyl]-2-methylbenzamide is CO[C@H]1C[C@@H](CNC(=O)c2cccc(Cl)c2C)N(c2cc(C)ncn2)C1.
What is the InChIKey of 3-chloro-N-[[(2S,4S)-4-methoxy-1-(6-methylpyrimidin-4-yl)pyrrolidin-2-yl]methyl]-2-methylbenzamide?
The InChIKey is VUTZRKLVGHOFTM-GJZGRUSLSA-N. The full InChI is InChI=1S/C19H23ClN4O2/c1-12-7-18(23-11-22-12)24-10-15(26-3)8-14(24)9-21-19(25)16-5-4-6-17(20)13(16)2/h4-7,11,14-15H,8-10H2,1-3H3,(H,21,25)/t14-,15-/m0/s1.
What are the key properties of 3-chloro-N-[[(2S,4S)-4-methoxy-1-(6-methylpyrimidin-4-yl)pyrrolidin-2-yl]methyl]-2-methylbenzamide?
3-chloro-N-[[(2S,4S)-4-methoxy-1-(6-methylpyrimidin-4-yl)pyrrolidin-2-yl]methyl]-2-methylbenzamide has a molecular weight of 374.87 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[[(2S,4S)-4-methoxy-1-(6-methylpyrimidin-4-yl)pyrrolidin-2-yl]methyl]-2-methylbenzamide is sourced from PubChem (CID 146115669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).