(2S)-N-(5-chloro-2-pyridinyl)-2-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methylamino]propanamide

C24H27ClN4O — CID 32794303

IUPAC(2S)-N-(5-chloro-2-pyridinyl)-2-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methylamino]propanamide
SMILESC[C@H](NCc1ccccc1-c1ccc(CN(C)C)cc1)C(=O)Nc1ccc(Cl)cn1
InChIInChI=1S/C24H27ClN4O/c1-17(24(30)28-23-13-12-21(25)15-27-23)26-14-20-6-4-5-7-22(20)19-10-8-18(9-11-19)16-29(2)3/h4-13,15,17,26H,14,16H2,1-3H3,(H,27,28,30)/t17-/m0/s1
InChIKeySIUJKDYKPRCYHU-KRWDZBQOSA-N
MW422.96 g/mol
LogP4.58
Rot. Bonds8

About (2S)-N-(5-chloro-2-pyridinyl)-2-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methylamino]propanamide

(2S)-N-(5-chloro-2-pyridinyl)-2-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methylamino]propanamide (PubChem CID 32794303) has the molecular formula C24H27ClN4O and a molecular weight of 422.96 g/mol. Its IUPAC name is (2S)-N-(5-chloro-2-pyridinyl)-2-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methylamino]propanamide.

Molecular Properties

Compound Name(2S)-N-(5-chloro-2-pyridinyl)-2-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methylamino]propanamide
PubChem CID32794303
Molecular FormulaC24H27ClN4O
Molecular Weight422.96 g/mol
Exact Mass422.19
IUPAC Name(2S)-N-(5-chloro-2-pyridinyl)-2-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methylamino]propanamide
SMILESC[C@H](NCc1ccccc1-c1ccc(CN(C)C)cc1)C(=O)Nc1ccc(Cl)cn1
InChIInChI=1S/C24H27ClN4O/c1-17(24(30)28-23-13-12-21(25)15-27-23)26-14-20-6-4-5-7-22(20)19-10-8-18(9-11-19)16-29(2)3/h4-13,15,17,26H,14,16H2,1-3H3,(H,27,28,30)/t17-/m0/s1
InChIKeySIUJKDYKPRCYHU-KRWDZBQOSA-N
XLogP4.58
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.96
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-tert-Butylphenyl)-4-(3-chloropyridin-2-yl)tetrahydropyrazine-1(2H)-carboxamide
CID 9929425
N-(1-(6-(3-chloropyridin-4-yl)-5-(4-(trifluoromethyl)phenyl)pyrazin-2-yl)piperidin-4-yl)isobutyramide
CID 24857903
N-[(2R)-4-[(5-chloro-2-pyridinyl)amino]-1,4-dioxo-1-piperidin-1-ylbutan-2-yl]-4-[2-[(dimethylamino)methyl]phenyl]benzamide
CID 10347471
N-[(2S)-4-[(5-chloro-2-pyridinyl)amino]-1,4-dioxo-1-piperidin-1-ylbutan-2-yl]-4-[2-[(dimethylamino)methyl]phenyl]benzamide
CID 44393407
1-(6-(2-Chloropyridin-4-yl)-5-(4-(trifluoromethyl)phenyl)pyrazin-2-yl)-4-(ethylamino)piperidine-4-carboxamide
CID 44576686
N-(1-(6-(3-chloropyridin-4-yl)-5-(4-(trifluoromethyl)phenyl)pyrazin-2-yl)piperidin-4-yl)propionamide
CID 44576717
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CID 45101490
1-N-[(2S)-1-[[(2S)-1-[(2-chlorophenyl)methylamino]-1-oxo-4-phenylbutan-2-yl]amino]-4-(2,2-dimethylpropylamino)-1,4-dioxobutan-2-yl]-4-N-pyridin-2-ylpiperidine-1,4-dicarboxamide
CID 137636959
N-(5-chloropyridin-2-yl)-2-(4-methylphenyl)acetamide
CID 891155
(E)-N-(5-chloropyridin-2-yl)-2-methyl-3-phenylprop-2-enamide
CID 2190627
N-(5-chloropyridin-2-yl)-3-phenylpropanamide
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CID 9946897

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(5-chloro-2-pyridinyl)-2-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methylamino]propanamide?
The IUPAC name of (2S)-N-(5-chloro-2-pyridinyl)-2-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methylamino]propanamide (CID 32794303) is (2S)-N-(5-chloro-2-pyridinyl)-2-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methylamino]propanamide.
What is the SMILES notation for (2S)-N-(5-chloro-2-pyridinyl)-2-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methylamino]propanamide?
The canonical SMILES for (2S)-N-(5-chloro-2-pyridinyl)-2-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methylamino]propanamide is C[C@H](NCc1ccccc1-c1ccc(CN(C)C)cc1)C(=O)Nc1ccc(Cl)cn1.
What is the InChIKey of (2S)-N-(5-chloro-2-pyridinyl)-2-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methylamino]propanamide?
The InChIKey is SIUJKDYKPRCYHU-KRWDZBQOSA-N. The full InChI is InChI=1S/C24H27ClN4O/c1-17(24(30)28-23-13-12-21(25)15-27-23)26-14-20-6-4-5-7-22(20)19-10-8-18(9-11-19)16-29(2)3/h4-13,15,17,26H,14,16H2,1-3H3,(H,27,28,30)/t17-/m0/s1.
What are the key properties of (2S)-N-(5-chloro-2-pyridinyl)-2-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methylamino]propanamide?
(2S)-N-(5-chloro-2-pyridinyl)-2-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methylamino]propanamide has a molecular weight of 422.96 g/mol, XLogP of 4.58, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(5-chloro-2-pyridinyl)-2-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methylamino]propanamide is sourced from PubChem (CID 32794303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).