2-acetamido-3-(1H-indol-3-yl)-N-pyridin-3-ylpropanamide

C18H18N4O2 — CID 43926506

IUPAC2-acetamido-3-(1H-indol-3-yl)-N-pyridin-3-ylpropanamide
SMILESCC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)Nc1cccnc1
InChIInChI=1S/C18H18N4O2/c1-12(23)21-17(18(24)22-14-5-4-8-19-11-14)9-13-10-20-16-7-3-2-6-15(13)16/h2-8,10-11,17,20H,9H2,1H3,(H,21,23)(H,22,24)
InChIKeySPYZCOUERFRWIL-UHFFFAOYSA-N
MW322.37 g/mol
LogP2.25
Rot. Bonds5

About 2-acetamido-3-(1H-indol-3-yl)-N-pyridin-3-ylpropanamide

2-acetamido-3-(1H-indol-3-yl)-N-pyridin-3-ylpropanamide (PubChem CID 43926506) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is 2-acetamido-3-(1H-indol-3-yl)-N-pyridin-3-ylpropanamide.

Molecular Properties

Compound Name2-acetamido-3-(1H-indol-3-yl)-N-pyridin-3-ylpropanamide
PubChem CID43926506
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC Name2-acetamido-3-(1H-indol-3-yl)-N-pyridin-3-ylpropanamide
SMILESCC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)Nc1cccnc1
InChIInChI=1S/C18H18N4O2/c1-12(23)21-17(18(24)22-14-5-4-8-19-11-14)9-13-10-20-16-7-3-2-6-15(13)16/h2-8,10-11,17,20H,9H2,1H3,(H,21,23)(H,22,24)
InChIKeySPYZCOUERFRWIL-UHFFFAOYSA-N
XLogP2.25
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 52.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-acetamido-3-(1H-indol-3-yl)-N-phenylpropanamide
CID 46449928
N-[(2S)-1-anilino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]pyridine-3-carboxamide
CID 110286567
2-amino-3-(1H-indol-3-yl)-N-pyridin-3-ylpropanamide
CID 76892447
2-acetamido-N-(3,5-dimethylphenyl)-3-(1H-indol-3-yl)propanamide
CID 51163813
(2S)-2-acetamido-3-(1H-indol-3-yl)-N-(3-iodophenyl)propanamide
CID 55937867
2-acetamido-N-[4-(diethylamino)phenyl]-3-(1H-indol-3-yl)propanamide
CID 19818816
(2S)-2-acetamido-3-(1H-indol-3-yl)-N-propan-2-ylpropanamide
CID 40720853
2-acetamido-N-(4-acetamido-3-methylphenyl)-3-(1H-indol-3-yl)propanamide
CID 46421755
2-acetamido-N-(4-ethoxyphenyl)-3-(1H-indol-3-yl)propanamide
CID 51161582
3-[[2-acetamido-3-(1H-indol-3-yl)propanoyl]amino]-N,N-dimethylbenzamide
CID 51339051
2-acetamido-3-(1H-indol-3-yl)-N-[1-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethyl]propanamide
CID 86945540
N-[3-[[2-acetamido-3-(1H-indol-3-yl)propanoyl]amino]phenyl]furan-2-carboxamide
CID 46510572

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-3-(1H-indol-3-yl)-N-pyridin-3-ylpropanamide?
The IUPAC name of 2-acetamido-3-(1H-indol-3-yl)-N-pyridin-3-ylpropanamide (CID 43926506) is 2-acetamido-3-(1H-indol-3-yl)-N-pyridin-3-ylpropanamide.
What is the SMILES notation for 2-acetamido-3-(1H-indol-3-yl)-N-pyridin-3-ylpropanamide?
The canonical SMILES for 2-acetamido-3-(1H-indol-3-yl)-N-pyridin-3-ylpropanamide is CC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)Nc1cccnc1.
What is the InChIKey of 2-acetamido-3-(1H-indol-3-yl)-N-pyridin-3-ylpropanamide?
The InChIKey is SPYZCOUERFRWIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2/c1-12(23)21-17(18(24)22-14-5-4-8-19-11-14)9-13-10-20-16-7-3-2-6-15(13)16/h2-8,10-11,17,20H,9H2,1H3,(H,21,23)(H,22,24).
What are the key properties of 2-acetamido-3-(1H-indol-3-yl)-N-pyridin-3-ylpropanamide?
2-acetamido-3-(1H-indol-3-yl)-N-pyridin-3-ylpropanamide has a molecular weight of 322.37 g/mol, XLogP of 2.25, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-3-(1H-indol-3-yl)-N-pyridin-3-ylpropanamide is sourced from PubChem (CID 43926506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).