N-[[4-(5-amino-2-methylindole-1-carbonyl)-2-pyridinyl]methyl]acetamide

C18H18N4O2 — CID 112526198

IUPACN-[[4-(5-amino-2-methylindole-1-carbonyl)-2-pyridinyl]methyl]acetamide
SMILESCC(=O)NCc1cc(C(=O)n2c(C)cc3cc(N)ccc32)ccn1
InChIInChI=1S/C18H18N4O2/c1-11-7-14-8-15(19)3-4-17(14)22(11)18(24)13-5-6-20-16(9-13)10-21-12(2)23/h3-9H,10,19H2,1-2H3,(H,21,23)
InChIKeyBHXQYWPORFZBSJ-UHFFFAOYSA-N
MW322.37 g/mol
LogP2.25
Rot. Bonds3

About N-[[4-(5-amino-2-methylindole-1-carbonyl)-2-pyridinyl]methyl]acetamide

N-[[4-(5-amino-2-methylindole-1-carbonyl)-2-pyridinyl]methyl]acetamide (PubChem CID 112526198) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is N-[[4-(5-amino-2-methylindole-1-carbonyl)-2-pyridinyl]methyl]acetamide.

Molecular Properties

Compound NameN-[[4-(5-amino-2-methylindole-1-carbonyl)-2-pyridinyl]methyl]acetamide
PubChem CID112526198
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC NameN-[[4-(5-amino-2-methylindole-1-carbonyl)-2-pyridinyl]methyl]acetamide
SMILESCC(=O)NCc1cc(C(=O)n2c(C)cc3cc(N)ccc32)ccn1
InChIInChI=1S/C18H18N4O2/c1-11-7-14-8-15(19)3-4-17(14)22(11)18(24)13-5-6-20-16(9-13)10-21-12(2)23/h3-9H,10,19H2,1-2H3,(H,21,23)
InChIKeyBHXQYWPORFZBSJ-UHFFFAOYSA-N
XLogP2.25
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(5-amino-2-methylindole-1-carbonyl)-2-pyridinyl]methyl]acetamide?
The IUPAC name of N-[[4-(5-amino-2-methylindole-1-carbonyl)-2-pyridinyl]methyl]acetamide (CID 112526198) is N-[[4-(5-amino-2-methylindole-1-carbonyl)-2-pyridinyl]methyl]acetamide.
What is the SMILES notation for N-[[4-(5-amino-2-methylindole-1-carbonyl)-2-pyridinyl]methyl]acetamide?
The canonical SMILES for N-[[4-(5-amino-2-methylindole-1-carbonyl)-2-pyridinyl]methyl]acetamide is CC(=O)NCc1cc(C(=O)n2c(C)cc3cc(N)ccc32)ccn1.
What is the InChIKey of N-[[4-(5-amino-2-methylindole-1-carbonyl)-2-pyridinyl]methyl]acetamide?
The InChIKey is BHXQYWPORFZBSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2/c1-11-7-14-8-15(19)3-4-17(14)22(11)18(24)13-5-6-20-16(9-13)10-21-12(2)23/h3-9H,10,19H2,1-2H3,(H,21,23).
What are the key properties of N-[[4-(5-amino-2-methylindole-1-carbonyl)-2-pyridinyl]methyl]acetamide?
N-[[4-(5-amino-2-methylindole-1-carbonyl)-2-pyridinyl]methyl]acetamide has a molecular weight of 322.37 g/mol, XLogP of 2.25, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(5-amino-2-methylindole-1-carbonyl)-2-pyridinyl]methyl]acetamide is sourced from PubChem (CID 112526198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).