(4S)-4-(dimethylamino)-5-(4-methyl-2-oxo-1,3-dihydroindol-5-yl)-2-(1-pyridin-3-ylethyl)pentanamide

C23H30N4O2 — CID 171054541

IUPAC(4S)-4-(dimethylamino)-5-(4-methyl-2-oxo-1,3-dihydroindol-5-yl)-2-(1-pyridin-3-ylethyl)pentanamide
SMILESCc1c(C[C@H](CC(C(N)=O)C(C)c2cccnc2)N(C)C)ccc2c1CC(=O)N2
InChIInChI=1S/C23H30N4O2/c1-14-16(7-8-21-19(14)12-22(28)26-21)10-18(27(3)4)11-20(23(24)29)15(2)17-6-5-9-25-13-17/h5-9,13,15,18,20H,10-12H2,1-4H3,(H2,24,29)(H,26,28)/t15?,18-,20?/m1/s1
InChIKeyCDHDNZYRHMVWGD-RVSXGSNBSA-N
MW394.52 g/mol
LogP2.65
Rot. Bonds8

About (4S)-4-(dimethylamino)-5-(4-methyl-2-oxo-1,3-dihydroindol-5-yl)-2-(1-pyridin-3-ylethyl)pentanamide

(4S)-4-(dimethylamino)-5-(4-methyl-2-oxo-1,3-dihydroindol-5-yl)-2-(1-pyridin-3-ylethyl)pentanamide (PubChem CID 171054541) has the molecular formula C23H30N4O2 and a molecular weight of 394.52 g/mol. Its IUPAC name is (4S)-4-(dimethylamino)-5-(4-methyl-2-oxo-1,3-dihydroindol-5-yl)-2-(1-pyridin-3-ylethyl)pentanamide.

Molecular Properties

Compound Name(4S)-4-(dimethylamino)-5-(4-methyl-2-oxo-1,3-dihydroindol-5-yl)-2-(1-pyridin-3-ylethyl)pentanamide
PubChem CID171054541
Molecular FormulaC23H30N4O2
Molecular Weight394.52 g/mol
Exact Mass394.24
IUPAC Name(4S)-4-(dimethylamino)-5-(4-methyl-2-oxo-1,3-dihydroindol-5-yl)-2-(1-pyridin-3-ylethyl)pentanamide
SMILESCc1c(C[C@H](CC(C(N)=O)C(C)c2cccnc2)N(C)C)ccc2c1CC(=O)N2
InChIInChI=1S/C23H30N4O2/c1-14-16(7-8-21-19(14)12-22(28)26-21)10-18(27(3)4)11-20(23(24)29)15(2)17-6-5-9-25-13-17/h5-9,13,15,18,20H,10-12H2,1-4H3,(H2,24,29)(H,26,28)/t15?,18-,20?/m1/s1
InChIKeyCDHDNZYRHMVWGD-RVSXGSNBSA-N
XLogP2.65
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-N-[(2S)-2-(dimethylamino)-3-(4-methyl-1H-indazol-5-yl)propyl]-3-(1-methylcyclopropyl)-3-pyridin-3-ylpropanamide
CID 166025385
N-[2-(dimethylamino)-3-(4-methyl-1H-indazol-5-yl)propyl]-3-(1-methylcyclopropyl)-3-pyridin-3-ylpropanamide
CID 174189165
(4S)-5-(3-chloro-4-hydroxyphenyl)-2-(2-cyclopropyl-1-pyridin-3-ylethyl)-4-(dimethylamino)pentanamide
CID 171054450
2-(dimethylamino)-2-pyridin-3-ylacetamide;dihydrochloride
CID 67492420
(3R)-N-[(2S)-2-(dimethylamino)-3-(4-methyl-1H-indazol-5-yl)propyl]-3-pyridin-3-yl-3-[1-(trifluoromethyl)cyclopropyl]propanamide
CID 166025636
4-methyl-2-pyridin-3-ylpentanamide
CID 68724697
1-[4-[(2S)-3-amino-2-(dimethylamino)propyl]-3-methylphenyl]propan-1-one;(3R)-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]-5-methyl-3-pyridin-3-ylhexanamide;(3R)-5-methyl-3-pyridin-3-ylhexanoic acid
CID 167610227
5-[amino(pyridin-3-yl)methyl]-1,3-dihydroindol-2-one
CID 43198851
2-(4-hydroxy-2-oxo-1,3-dihydroindol-5-yl)acetamide
CID 23064251
2-(dimethylamino)-1-(4-ethylpiperazin-1-yl)-2-pyridin-3-ylethanone
CID 110753896
2-amino-3-pyridin-3-ylbutanoic acid
CID 83906430
ethyl 3-pyridin-3-ylbutanoate
CID 12727116

Frequently Asked Questions

What is the IUPAC name of (4S)-4-(dimethylamino)-5-(4-methyl-2-oxo-1,3-dihydroindol-5-yl)-2-(1-pyridin-3-ylethyl)pentanamide?
The IUPAC name of (4S)-4-(dimethylamino)-5-(4-methyl-2-oxo-1,3-dihydroindol-5-yl)-2-(1-pyridin-3-ylethyl)pentanamide (CID 171054541) is (4S)-4-(dimethylamino)-5-(4-methyl-2-oxo-1,3-dihydroindol-5-yl)-2-(1-pyridin-3-ylethyl)pentanamide.
What is the SMILES notation for (4S)-4-(dimethylamino)-5-(4-methyl-2-oxo-1,3-dihydroindol-5-yl)-2-(1-pyridin-3-ylethyl)pentanamide?
The canonical SMILES for (4S)-4-(dimethylamino)-5-(4-methyl-2-oxo-1,3-dihydroindol-5-yl)-2-(1-pyridin-3-ylethyl)pentanamide is Cc1c(C[C@H](CC(C(N)=O)C(C)c2cccnc2)N(C)C)ccc2c1CC(=O)N2.
What is the InChIKey of (4S)-4-(dimethylamino)-5-(4-methyl-2-oxo-1,3-dihydroindol-5-yl)-2-(1-pyridin-3-ylethyl)pentanamide?
The InChIKey is CDHDNZYRHMVWGD-RVSXGSNBSA-N. The full InChI is InChI=1S/C23H30N4O2/c1-14-16(7-8-21-19(14)12-22(28)26-21)10-18(27(3)4)11-20(23(24)29)15(2)17-6-5-9-25-13-17/h5-9,13,15,18,20H,10-12H2,1-4H3,(H2,24,29)(H,26,28)/t15?,18-,20?/m1/s1.
What are the key properties of (4S)-4-(dimethylamino)-5-(4-methyl-2-oxo-1,3-dihydroindol-5-yl)-2-(1-pyridin-3-ylethyl)pentanamide?
(4S)-4-(dimethylamino)-5-(4-methyl-2-oxo-1,3-dihydroindol-5-yl)-2-(1-pyridin-3-ylethyl)pentanamide has a molecular weight of 394.52 g/mol, XLogP of 2.65, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(dimethylamino)-5-(4-methyl-2-oxo-1,3-dihydroindol-5-yl)-2-(1-pyridin-3-ylethyl)pentanamide is sourced from PubChem (CID 171054541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).