1,2-dimethyl-7-[methyl-[(3S)-1-prop-2-enoylpyrrolidin-3-yl]amino]-3H-indene-4-carboxamide

C20H25N3O2 — CID 147536973

IUPAC1,2-dimethyl-7-[methyl-[(3S)-1-prop-2-enoylpyrrolidin-3-yl]amino]-3H-indene-4-carboxamide
SMILESC=CC(=O)N1CC[C@H](N(C)c2ccc(C(N)=O)c3c2C(C)=C(C)C3)C1
InChIInChI=1S/C20H25N3O2/c1-5-18(24)23-9-8-14(11-23)22(4)17-7-6-15(20(21)25)16-10-12(2)13(3)19(16)17/h5-7,14H,1,8-11H2,2-4H3,(H2,21,25)/t14-/m0/s1
InChIKeyFODNPEYLGYETFB-AWEZNQCLSA-N
MW339.44 g/mol
LogP2.36
Rot. Bonds4

About 1,2-dimethyl-7-[methyl-[(3S)-1-prop-2-enoylpyrrolidin-3-yl]amino]-3H-indene-4-carboxamide

1,2-dimethyl-7-[methyl-[(3S)-1-prop-2-enoylpyrrolidin-3-yl]amino]-3H-indene-4-carboxamide (PubChem CID 147536973) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 1,2-dimethyl-7-[methyl-[(3S)-1-prop-2-enoylpyrrolidin-3-yl]amino]-3H-indene-4-carboxamide.

Molecular Properties

Compound Name1,2-dimethyl-7-[methyl-[(3S)-1-prop-2-enoylpyrrolidin-3-yl]amino]-3H-indene-4-carboxamide
PubChem CID147536973
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name1,2-dimethyl-7-[methyl-[(3S)-1-prop-2-enoylpyrrolidin-3-yl]amino]-3H-indene-4-carboxamide
SMILESC=CC(=O)N1CC[C@H](N(C)c2ccc(C(N)=O)c3c2C(C)=C(C)C3)C1
InChIInChI=1S/C20H25N3O2/c1-5-18(24)23-9-8-14(11-23)22(4)17-7-6-15(20(21)25)16-10-12(2)13(3)19(16)17/h5-7,14H,1,8-11H2,2-4H3,(H2,21,25)/t14-/m0/s1
InChIKeyFODNPEYLGYETFB-AWEZNQCLSA-N
XLogP2.36
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

6-fluoro-1,2-dimethyl-7-[methyl-[(3S)-1-oxaldehydoylpyrrolidin-3-yl]amino]-3H-indene-4-carboxamide
CID 159103268
6-fluoro-1-methyl-7-(1-prop-2-enoylpyrrolidin-3-yl)-2-(trifluoromethyl)-3H-indene-4-carboxamide
CID 152987796
5-fluoro-2,3-dimethyl-4-[methyl-[(3S)-1-prop-2-enoylpyrrolidin-3-yl]amino]-1H-indole-7-carboxamide
CID 121294067
1,2-dimethyl-7-[(1-prop-2-ynoylpiperidin-3-yl)amino]-3H-indene-4-carboxamide
CID 149302688
2-[(3Z)-3-(dimethylhydrazinylidene)but-1-en-2-yl]-4-[methyl-(1-prop-2-enoylazetidin-3-yl)amino]-1H-indole-7-carboxamide
CID 138641289
1-[3-[ethyl(methyl)amino]piperidin-1-yl]prop-2-en-1-one
CID 155030706
2,3-dimethyl-4-(1-prop-2-enoylpyrrolidin-3-yl)-1H-indole-7-carboxamide
CID 121293914
N-methyl-3-(4-methylphenoxy)-N-[(3S)-1-prop-2-enoylpyrrolidin-3-yl]propanamide
CID 172889510
5-(2-methoxy-4-pyridinyl)-3-[methyl-[(3S)-1-prop-2-enoylpyrrolidin-3-yl]amino]-1H-pyridin-2-one
CID 118251041
2,3-dimethyl-4-[[(3R)-1-prop-2-enoylpyrrolidin-3-yl]amino]-1H-indole-7-carboxamide
CID 121294112
N-methyl-N-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]-3,5-bis(trifluoromethyl)benzamide
CID 172888258
2-[4-(4-methylphenoxy)phenoxy]-6-(1-prop-2-enoylpyrrolidin-3-yl)pyridine-3-carboxamide
CID 118038357

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-7-[methyl-[(3S)-1-prop-2-enoylpyrrolidin-3-yl]amino]-3H-indene-4-carboxamide?
The IUPAC name of 1,2-dimethyl-7-[methyl-[(3S)-1-prop-2-enoylpyrrolidin-3-yl]amino]-3H-indene-4-carboxamide (CID 147536973) is 1,2-dimethyl-7-[methyl-[(3S)-1-prop-2-enoylpyrrolidin-3-yl]amino]-3H-indene-4-carboxamide.
What is the SMILES notation for 1,2-dimethyl-7-[methyl-[(3S)-1-prop-2-enoylpyrrolidin-3-yl]amino]-3H-indene-4-carboxamide?
The canonical SMILES for 1,2-dimethyl-7-[methyl-[(3S)-1-prop-2-enoylpyrrolidin-3-yl]amino]-3H-indene-4-carboxamide is C=CC(=O)N1CC[C@H](N(C)c2ccc(C(N)=O)c3c2C(C)=C(C)C3)C1.
What is the InChIKey of 1,2-dimethyl-7-[methyl-[(3S)-1-prop-2-enoylpyrrolidin-3-yl]amino]-3H-indene-4-carboxamide?
The InChIKey is FODNPEYLGYETFB-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-5-18(24)23-9-8-14(11-23)22(4)17-7-6-15(20(21)25)16-10-12(2)13(3)19(16)17/h5-7,14H,1,8-11H2,2-4H3,(H2,21,25)/t14-/m0/s1.
What are the key properties of 1,2-dimethyl-7-[methyl-[(3S)-1-prop-2-enoylpyrrolidin-3-yl]amino]-3H-indene-4-carboxamide?
1,2-dimethyl-7-[methyl-[(3S)-1-prop-2-enoylpyrrolidin-3-yl]amino]-3H-indene-4-carboxamide has a molecular weight of 339.44 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-7-[methyl-[(3S)-1-prop-2-enoylpyrrolidin-3-yl]amino]-3H-indene-4-carboxamide is sourced from PubChem (CID 147536973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).