2-acetamido-N-[[2-(dimethylamino)-4-pyridinyl]methyl]-3-(1H-indol-3-yl)propanamide

C21H25N5O2 — CID 55636976

IUPAC2-acetamido-N-[[2-(dimethylamino)-4-pyridinyl]methyl]-3-(1H-indol-3-yl)propanamide
SMILESCC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NCc1ccnc(N(C)C)c1
InChIInChI=1S/C21H25N5O2/c1-14(27)25-19(11-16-13-23-18-7-5-4-6-17(16)18)21(28)24-12-15-8-9-22-20(10-15)26(2)3/h4-10,13,19,23H,11-12H2,1-3H3,(H,24,28)(H,25,27)
InChIKeyIEPZXDFTCKVHMJ-UHFFFAOYSA-N
MW379.46 g/mol
LogP1.99
Rot. Bonds7

About 2-acetamido-N-[[2-(dimethylamino)-4-pyridinyl]methyl]-3-(1H-indol-3-yl)propanamide

2-acetamido-N-[[2-(dimethylamino)-4-pyridinyl]methyl]-3-(1H-indol-3-yl)propanamide (PubChem CID 55636976) has the molecular formula C21H25N5O2 and a molecular weight of 379.46 g/mol. Its IUPAC name is 2-acetamido-N-[[2-(dimethylamino)-4-pyridinyl]methyl]-3-(1H-indol-3-yl)propanamide.

Molecular Properties

Compound Name2-acetamido-N-[[2-(dimethylamino)-4-pyridinyl]methyl]-3-(1H-indol-3-yl)propanamide
PubChem CID55636976
Molecular FormulaC21H25N5O2
Molecular Weight379.46 g/mol
Exact Mass379.20
IUPAC Name2-acetamido-N-[[2-(dimethylamino)-4-pyridinyl]methyl]-3-(1H-indol-3-yl)propanamide
SMILESCC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NCc1ccnc(N(C)C)c1
InChIInChI=1S/C21H25N5O2/c1-14(27)25-19(11-16-13-23-18-7-5-4-6-17(16)18)21(28)24-12-15-8-9-22-20(10-15)26(2)3/h4-10,13,19,23H,11-12H2,1-3H3,(H,24,28)(H,25,27)
InChIKeyIEPZXDFTCKVHMJ-UHFFFAOYSA-N
XLogP1.99
TPSA90.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 51.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-acetamido-N-(1,3-benzodioxol-5-ylmethyl)-3-(1H-indol-3-yl)propanamide
CID 990959
(2R)-2-acetamido-N-[(2-fluorophenyl)methyl]-3-(1H-indol-3-yl)propanamide
CID 2206716
(2S)-2-acetamido-N-[(2,4-dichlorophenyl)methyl]-3-(1H-indol-3-yl)propanamide
CID 35806397
2-acetamido-3-(1H-indol-3-yl)-N-(1H-indol-2-ylmethyl)propanamide
CID 47086404
(2S)-2-acetamido-3-(1H-indol-3-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide
CID 39978358
(2S)-N-benzyl-2-(dimethylcarbamoylamino)-3-(1H-indol-3-yl)propanamide
CID 110286534
2-acetamido-N-(1H-benzimidazol-2-ylmethyl)-3-(1H-indol-3-yl)propanamide
CID 78790797
(2S)-2-acetamido-3-(1H-indol-3-yl)-N-propan-2-ylpropanamide
CID 40720853
N-[1-[(2-cyclopentyloxy-4-pyridinyl)methylamino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-methylpropanamide
CID 55659212
2-acetamido-N-[2-(diethylamino)propyl]-3-(1H-indol-3-yl)propanamide
CID 55683583
2-acetamido-3-(1H-indol-3-yl)-N-[(3-methylthiophen-2-yl)methyl]propanamide
CID 74629777
(2R)-N-benzyl-3-(1H-indol-3-yl)-2-[[(E)-4-oxopent-2-en-2-yl]amino]propanamide
CID 51398273

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-[[2-(dimethylamino)-4-pyridinyl]methyl]-3-(1H-indol-3-yl)propanamide?
The IUPAC name of 2-acetamido-N-[[2-(dimethylamino)-4-pyridinyl]methyl]-3-(1H-indol-3-yl)propanamide (CID 55636976) is 2-acetamido-N-[[2-(dimethylamino)-4-pyridinyl]methyl]-3-(1H-indol-3-yl)propanamide.
What is the SMILES notation for 2-acetamido-N-[[2-(dimethylamino)-4-pyridinyl]methyl]-3-(1H-indol-3-yl)propanamide?
The canonical SMILES for 2-acetamido-N-[[2-(dimethylamino)-4-pyridinyl]methyl]-3-(1H-indol-3-yl)propanamide is CC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NCc1ccnc(N(C)C)c1.
What is the InChIKey of 2-acetamido-N-[[2-(dimethylamino)-4-pyridinyl]methyl]-3-(1H-indol-3-yl)propanamide?
The InChIKey is IEPZXDFTCKVHMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O2/c1-14(27)25-19(11-16-13-23-18-7-5-4-6-17(16)18)21(28)24-12-15-8-9-22-20(10-15)26(2)3/h4-10,13,19,23H,11-12H2,1-3H3,(H,24,28)(H,25,27).
What are the key properties of 2-acetamido-N-[[2-(dimethylamino)-4-pyridinyl]methyl]-3-(1H-indol-3-yl)propanamide?
2-acetamido-N-[[2-(dimethylamino)-4-pyridinyl]methyl]-3-(1H-indol-3-yl)propanamide has a molecular weight of 379.46 g/mol, XLogP of 1.99, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-[[2-(dimethylamino)-4-pyridinyl]methyl]-3-(1H-indol-3-yl)propanamide is sourced from PubChem (CID 55636976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).