4-chloro-N-(pyridin-3-ylmethyl)-N-[[(3S)-pyrrolidin-3-yl]methyl]benzamide

C18H20ClN3O — CID 129343993

IUPAC4-chloro-N-(pyridin-3-ylmethyl)-N-[[(3S)-pyrrolidin-3-yl]methyl]benzamide
SMILESO=C(c1ccc(Cl)cc1)N(Cc1cccnc1)C[C@H]1CCNC1
InChIInChI=1S/C18H20ClN3O/c19-17-5-3-16(4-6-17)18(23)22(13-15-7-9-21-11-15)12-14-2-1-8-20-10-14/h1-6,8,10,15,21H,7,9,11-13H2/t15-/m0/s1
InChIKeyYEHIRHPZLHNRDJ-HNNXBMFYSA-N
MW329.83 g/mol
LogP2.99
Rot. Bonds5

About 4-chloro-N-(pyridin-3-ylmethyl)-N-[[(3S)-pyrrolidin-3-yl]methyl]benzamide

4-chloro-N-(pyridin-3-ylmethyl)-N-[[(3S)-pyrrolidin-3-yl]methyl]benzamide (PubChem CID 129343993) has the molecular formula C18H20ClN3O and a molecular weight of 329.83 g/mol. Its IUPAC name is 4-chloro-N-(pyridin-3-ylmethyl)-N-[[(3S)-pyrrolidin-3-yl]methyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-(pyridin-3-ylmethyl)-N-[[(3S)-pyrrolidin-3-yl]methyl]benzamide
PubChem CID129343993
Molecular FormulaC18H20ClN3O
Molecular Weight329.83 g/mol
Exact Mass329.13
IUPAC Name4-chloro-N-(pyridin-3-ylmethyl)-N-[[(3S)-pyrrolidin-3-yl]methyl]benzamide
SMILESO=C(c1ccc(Cl)cc1)N(Cc1cccnc1)C[C@H]1CCNC1
InChIInChI=1S/C18H20ClN3O/c19-17-5-3-16(4-6-17)18(23)22(13-15-7-9-21-11-15)12-14-2-1-8-20-10-14/h1-6,8,10,15,21H,7,9,11-13H2/t15-/m0/s1
InChIKeyYEHIRHPZLHNRDJ-HNNXBMFYSA-N
XLogP2.99
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.83
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-(pyridin-3-ylmethyl)-N-[[(3R)-pyrrolidin-3-yl]methyl]benzamide
CID 129343994
2-ethyl-N-(pyridin-3-ylmethyl)-N-(pyrrolidin-3-ylmethyl)-1,3-thiazole-5-carboxamide;dihydrochloride
CID 128974215
5-ethyl-4-methyl-N-(pyridin-3-ylmethyl)-N-[[(3R)-pyrrolidin-3-yl]methyl]furan-2-carboxamide
CID 129337692
(3R)-N-(pyridin-3-ylmethyl)-N-[[(3R)-pyrrolidin-3-yl]methyl]oxane-3-carboxamide
CID 129343717
2-(4-oxo-1,3-thiazolidin-3-yl)-N-(pyridin-3-ylmethyl)-N-[[(3R)-pyrrolidin-3-yl]methyl]acetamide
CID 129339827
2-ethylsulfonyl-N-(pyridin-3-ylmethyl)-N-(pyrrolidin-3-ylmethyl)ethanamine;hydrochloride
CID 128973446
N-[(5-chlorothiadiazol-4-yl)methyl]-N-(pyridin-3-ylmethyl)-1-pyrrolidin-3-ylmethanamine;hydrochloride
CID 129005760
N-(2-methoxyethyl)-4-[(3S)-piperidin-3-yl]-N-(pyridin-3-ylmethyl)benzamide
CID 97200779
2-[N-(pyridin-3-ylmethyl)anilino]-N-(2-pyrrolidin-3-ylethyl)acetamide
CID 119537580
N-(pyridin-3-ylmethyl)-1-[(3S)-pyrrolidin-3-yl]-N-(1,3-thiazol-4-ylmethyl)methanamine
CID 129336675
4-(dimethylamino)-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-N-(pyridin-3-ylmethyl)benzamide
CID 91833864
N-(cyclohex-3-en-1-ylmethyl)-N-(pyridin-3-ylmethyl)quinoline-6-carboxamide
CID 42794084

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(pyridin-3-ylmethyl)-N-[[(3S)-pyrrolidin-3-yl]methyl]benzamide?
The IUPAC name of 4-chloro-N-(pyridin-3-ylmethyl)-N-[[(3S)-pyrrolidin-3-yl]methyl]benzamide (CID 129343993) is 4-chloro-N-(pyridin-3-ylmethyl)-N-[[(3S)-pyrrolidin-3-yl]methyl]benzamide.
What is the SMILES notation for 4-chloro-N-(pyridin-3-ylmethyl)-N-[[(3S)-pyrrolidin-3-yl]methyl]benzamide?
The canonical SMILES for 4-chloro-N-(pyridin-3-ylmethyl)-N-[[(3S)-pyrrolidin-3-yl]methyl]benzamide is O=C(c1ccc(Cl)cc1)N(Cc1cccnc1)C[C@H]1CCNC1.
What is the InChIKey of 4-chloro-N-(pyridin-3-ylmethyl)-N-[[(3S)-pyrrolidin-3-yl]methyl]benzamide?
The InChIKey is YEHIRHPZLHNRDJ-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H20ClN3O/c19-17-5-3-16(4-6-17)18(23)22(13-15-7-9-21-11-15)12-14-2-1-8-20-10-14/h1-6,8,10,15,21H,7,9,11-13H2/t15-/m0/s1.
What are the key properties of 4-chloro-N-(pyridin-3-ylmethyl)-N-[[(3S)-pyrrolidin-3-yl]methyl]benzamide?
4-chloro-N-(pyridin-3-ylmethyl)-N-[[(3S)-pyrrolidin-3-yl]methyl]benzamide has a molecular weight of 329.83 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(pyridin-3-ylmethyl)-N-[[(3S)-pyrrolidin-3-yl]methyl]benzamide is sourced from PubChem (CID 129343993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).