N-[(6-methoxy-3-pyridinyl)methyl]-3-methyl-5-[(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]pyridin-2-amine

C22H23N5O — CID 52934485

IUPACN-[(6-methoxy-3-pyridinyl)methyl]-3-methyl-5-[(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]pyridin-2-amine
SMILESCOc1ccc(CNc2ncc(Cc3c[nH]c4ncc(C)cc34)cc2C)cn1
InChIInChI=1S/C22H23N5O/c1-14-6-19-18(13-27-22(19)24-9-14)8-17-7-15(2)21(26-12-17)25-11-16-4-5-20(28-3)23-10-16/h4-7,9-10,12-13H,8,11H2,1-3H3,(H,24,27)(H,25,26)
InChIKeyRDIZVQZEIMMIDF-UHFFFAOYSA-N
MW373.46 g/mol
LogP4.18
Rot. Bonds6

About N-[(6-methoxy-3-pyridinyl)methyl]-3-methyl-5-[(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]pyridin-2-amine

N-[(6-methoxy-3-pyridinyl)methyl]-3-methyl-5-[(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]pyridin-2-amine (PubChem CID 52934485) has the molecular formula C22H23N5O and a molecular weight of 373.46 g/mol. Its IUPAC name is N-[(6-methoxy-3-pyridinyl)methyl]-3-methyl-5-[(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]pyridin-2-amine.

Molecular Properties

Compound NameN-[(6-methoxy-3-pyridinyl)methyl]-3-methyl-5-[(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]pyridin-2-amine
PubChem CID52934485
Molecular FormulaC22H23N5O
Molecular Weight373.46 g/mol
Exact Mass373.19
IUPAC NameN-[(6-methoxy-3-pyridinyl)methyl]-3-methyl-5-[(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]pyridin-2-amine
SMILESCOc1ccc(CNc2ncc(Cc3c[nH]c4ncc(C)cc34)cc2C)cn1
InChIInChI=1S/C22H23N5O/c1-14-6-19-18(13-27-22(19)24-9-14)8-17-7-15(2)21(26-12-17)25-11-16-4-5-20(28-3)23-10-16/h4-7,9-10,12-13H,8,11H2,1-3H3,(H,24,27)(H,25,26)
InChIKeyRDIZVQZEIMMIDF-UHFFFAOYSA-N
XLogP4.18
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(6-methoxy-3-pyridinyl)methyl]-3-methyl-5-[(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]pyridin-2-amine?
The IUPAC name of N-[(6-methoxy-3-pyridinyl)methyl]-3-methyl-5-[(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]pyridin-2-amine (CID 52934485) is N-[(6-methoxy-3-pyridinyl)methyl]-3-methyl-5-[(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]pyridin-2-amine.
What is the SMILES notation for N-[(6-methoxy-3-pyridinyl)methyl]-3-methyl-5-[(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]pyridin-2-amine?
The canonical SMILES for N-[(6-methoxy-3-pyridinyl)methyl]-3-methyl-5-[(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]pyridin-2-amine is COc1ccc(CNc2ncc(Cc3c[nH]c4ncc(C)cc34)cc2C)cn1.
What is the InChIKey of N-[(6-methoxy-3-pyridinyl)methyl]-3-methyl-5-[(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]pyridin-2-amine?
The InChIKey is RDIZVQZEIMMIDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O/c1-14-6-19-18(13-27-22(19)24-9-14)8-17-7-15(2)21(26-12-17)25-11-16-4-5-20(28-3)23-10-16/h4-7,9-10,12-13H,8,11H2,1-3H3,(H,24,27)(H,25,26).
What are the key properties of N-[(6-methoxy-3-pyridinyl)methyl]-3-methyl-5-[(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]pyridin-2-amine?
N-[(6-methoxy-3-pyridinyl)methyl]-3-methyl-5-[(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]pyridin-2-amine has a molecular weight of 373.46 g/mol, XLogP of 4.18, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methoxy-3-pyridinyl)methyl]-3-methyl-5-[(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]pyridin-2-amine is sourced from PubChem (CID 52934485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).