N-carbamimidoyl-6-[[5-[(dimethylamino)methyl]-3-pyridinyl]oxy]-N-methyl-1H-indole-2-carboxamide

C19H22N6O2 — CID 70215013

IUPACN-carbamimidoyl-6-[[5-[(dimethylamino)methyl]-3-pyridinyl]oxy]-N-methyl-1H-indole-2-carboxamide
SMILES[H]/N=C(\N)N(C)C(=O)c1cc2ccc(Oc3cncc(CN(C)C)c3)cc2[nH]1
InChIInChI=1S/C19H22N6O2/c1-24(2)11-12-6-15(10-22-9-12)27-14-5-4-13-7-17(23-16(13)8-14)18(26)25(3)19(20)21/h4-10,23H,11H2,1-3H3,(H3,20,21)
InChIKeyXDLKAGVGGFWCKH-UHFFFAOYSA-N
MW366.43 g/mol
LogP2.38
Rot. Bonds5

About N-carbamimidoyl-6-[[5-[(dimethylamino)methyl]-3-pyridinyl]oxy]-N-methyl-1H-indole-2-carboxamide

N-carbamimidoyl-6-[[5-[(dimethylamino)methyl]-3-pyridinyl]oxy]-N-methyl-1H-indole-2-carboxamide (PubChem CID 70215013) has the molecular formula C19H22N6O2 and a molecular weight of 366.43 g/mol. Its IUPAC name is N-carbamimidoyl-6-[[5-[(dimethylamino)methyl]-3-pyridinyl]oxy]-N-methyl-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-carbamimidoyl-6-[[5-[(dimethylamino)methyl]-3-pyridinyl]oxy]-N-methyl-1H-indole-2-carboxamide
PubChem CID70215013
Molecular FormulaC19H22N6O2
Molecular Weight366.43 g/mol
Exact Mass366.18
IUPAC NameN-carbamimidoyl-6-[[5-[(dimethylamino)methyl]-3-pyridinyl]oxy]-N-methyl-1H-indole-2-carboxamide
SMILES[H]/N=C(\N)N(C)C(=O)c1cc2ccc(Oc3cncc(CN(C)C)c3)cc2[nH]1
InChIInChI=1S/C19H22N6O2/c1-24(2)11-12-6-15(10-22-9-12)27-14-5-4-13-7-17(23-16(13)8-14)18(26)25(3)19(20)21/h4-10,23H,11H2,1-3H3,(H3,20,21)
InChIKeyXDLKAGVGGFWCKH-UHFFFAOYSA-N
XLogP2.38
TPSA111.33 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.43
LogP ≤ 52.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-carbamimidoyl-6-[[5-[(dimethylamino)methyl]-3-pyridinyl]oxy]-N-methyl-1H-indole-2-carboxamide?
The IUPAC name of N-carbamimidoyl-6-[[5-[(dimethylamino)methyl]-3-pyridinyl]oxy]-N-methyl-1H-indole-2-carboxamide (CID 70215013) is N-carbamimidoyl-6-[[5-[(dimethylamino)methyl]-3-pyridinyl]oxy]-N-methyl-1H-indole-2-carboxamide.
What is the SMILES notation for N-carbamimidoyl-6-[[5-[(dimethylamino)methyl]-3-pyridinyl]oxy]-N-methyl-1H-indole-2-carboxamide?
The canonical SMILES for N-carbamimidoyl-6-[[5-[(dimethylamino)methyl]-3-pyridinyl]oxy]-N-methyl-1H-indole-2-carboxamide is [H]/N=C(\N)N(C)C(=O)c1cc2ccc(Oc3cncc(CN(C)C)c3)cc2[nH]1.
What is the InChIKey of N-carbamimidoyl-6-[[5-[(dimethylamino)methyl]-3-pyridinyl]oxy]-N-methyl-1H-indole-2-carboxamide?
The InChIKey is XDLKAGVGGFWCKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O2/c1-24(2)11-12-6-15(10-22-9-12)27-14-5-4-13-7-17(23-16(13)8-14)18(26)25(3)19(20)21/h4-10,23H,11H2,1-3H3,(H3,20,21).
What are the key properties of N-carbamimidoyl-6-[[5-[(dimethylamino)methyl]-3-pyridinyl]oxy]-N-methyl-1H-indole-2-carboxamide?
N-carbamimidoyl-6-[[5-[(dimethylamino)methyl]-3-pyridinyl]oxy]-N-methyl-1H-indole-2-carboxamide has a molecular weight of 366.43 g/mol, XLogP of 2.38, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamimidoyl-6-[[5-[(dimethylamino)methyl]-3-pyridinyl]oxy]-N-methyl-1H-indole-2-carboxamide is sourced from PubChem (CID 70215013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).