N-[(S)-cyclopropyl-(6-methyl-2-pyridinyl)methyl]-5-methoxy-1-methylindole-2-carboxamide

C21H23N3O2 — CID 99946822

IUPACN-[(S)-cyclopropyl-(6-methyl-2-pyridinyl)methyl]-5-methoxy-1-methylindole-2-carboxamide
SMILESCOc1ccc2c(c1)cc(C(=O)N[C@H](c1cccc(C)n1)C1CC1)n2C
InChIInChI=1S/C21H23N3O2/c1-13-5-4-6-17(22-13)20(14-7-8-14)23-21(25)19-12-15-11-16(26-3)9-10-18(15)24(19)2/h4-6,9-12,14,20H,7-8H2,1-3H3,(H,23,25)/t20-/m0/s1
InChIKeyWIVCRMITTCPNMF-FQEVSTJZSA-N
MW349.43 g/mol
LogP3.77
Rot. Bonds5

About N-[(S)-cyclopropyl-(6-methyl-2-pyridinyl)methyl]-5-methoxy-1-methylindole-2-carboxamide

N-[(S)-cyclopropyl-(6-methyl-2-pyridinyl)methyl]-5-methoxy-1-methylindole-2-carboxamide (PubChem CID 99946822) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is N-[(S)-cyclopropyl-(6-methyl-2-pyridinyl)methyl]-5-methoxy-1-methylindole-2-carboxamide.

Molecular Properties

Compound NameN-[(S)-cyclopropyl-(6-methyl-2-pyridinyl)methyl]-5-methoxy-1-methylindole-2-carboxamide
PubChem CID99946822
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC NameN-[(S)-cyclopropyl-(6-methyl-2-pyridinyl)methyl]-5-methoxy-1-methylindole-2-carboxamide
SMILESCOc1ccc2c(c1)cc(C(=O)N[C@H](c1cccc(C)n1)C1CC1)n2C
InChIInChI=1S/C21H23N3O2/c1-13-5-4-6-17(22-13)20(14-7-8-14)23-21(25)19-12-15-11-16(26-3)9-10-18(15)24(19)2/h4-6,9-12,14,20H,7-8H2,1-3H3,(H,23,25)/t20-/m0/s1
InChIKeyWIVCRMITTCPNMF-FQEVSTJZSA-N
XLogP3.77
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(S)-cyclopropyl-(6-methyl-2-pyridinyl)methyl]-5-methoxy-1-methylindole-2-carboxamide?
The IUPAC name of N-[(S)-cyclopropyl-(6-methyl-2-pyridinyl)methyl]-5-methoxy-1-methylindole-2-carboxamide (CID 99946822) is N-[(S)-cyclopropyl-(6-methyl-2-pyridinyl)methyl]-5-methoxy-1-methylindole-2-carboxamide.
What is the SMILES notation for N-[(S)-cyclopropyl-(6-methyl-2-pyridinyl)methyl]-5-methoxy-1-methylindole-2-carboxamide?
The canonical SMILES for N-[(S)-cyclopropyl-(6-methyl-2-pyridinyl)methyl]-5-methoxy-1-methylindole-2-carboxamide is COc1ccc2c(c1)cc(C(=O)N[C@H](c1cccc(C)n1)C1CC1)n2C.
What is the InChIKey of N-[(S)-cyclopropyl-(6-methyl-2-pyridinyl)methyl]-5-methoxy-1-methylindole-2-carboxamide?
The InChIKey is WIVCRMITTCPNMF-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-13-5-4-6-17(22-13)20(14-7-8-14)23-21(25)19-12-15-11-16(26-3)9-10-18(15)24(19)2/h4-6,9-12,14,20H,7-8H2,1-3H3,(H,23,25)/t20-/m0/s1.
What are the key properties of N-[(S)-cyclopropyl-(6-methyl-2-pyridinyl)methyl]-5-methoxy-1-methylindole-2-carboxamide?
N-[(S)-cyclopropyl-(6-methyl-2-pyridinyl)methyl]-5-methoxy-1-methylindole-2-carboxamide has a molecular weight of 349.43 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(S)-cyclopropyl-(6-methyl-2-pyridinyl)methyl]-5-methoxy-1-methylindole-2-carboxamide is sourced from PubChem (CID 99946822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).