N-[(3,5-dichloro-4-pyridinyl)methyl]-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyridin-2-amine

C19H15Cl2N5 — CID 24955368

IUPACN-[(3,5-dichloro-4-pyridinyl)methyl]-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyridin-2-amine
SMILESClc1cncc(Cl)c1CNc1ccc(Cc2c[nH]c3ncccc23)cn1
InChIInChI=1S/C19H15Cl2N5/c20-16-10-22-11-17(21)15(16)9-25-18-4-3-12(7-24-18)6-13-8-26-19-14(13)2-1-5-23-19/h1-5,7-8,10-11H,6,9H2,(H,23,26)(H,24,25)
InChIKeyCZDACHSVSVOENP-UHFFFAOYSA-N
MW384.27 g/mol
LogP4.86
Rot. Bonds5

About N-[(3,5-dichloro-4-pyridinyl)methyl]-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyridin-2-amine

N-[(3,5-dichloro-4-pyridinyl)methyl]-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyridin-2-amine (PubChem CID 24955368) has the molecular formula C19H15Cl2N5 and a molecular weight of 384.27 g/mol. Its IUPAC name is N-[(3,5-dichloro-4-pyridinyl)methyl]-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-[(3,5-dichloro-4-pyridinyl)methyl]-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyridin-2-amine
PubChem CID24955368
Molecular FormulaC19H15Cl2N5
Molecular Weight384.27 g/mol
Exact Mass383.07
IUPAC NameN-[(3,5-dichloro-4-pyridinyl)methyl]-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyridin-2-amine
SMILESClc1cncc(Cl)c1CNc1ccc(Cc2c[nH]c3ncccc23)cn1
InChIInChI=1S/C19H15Cl2N5/c20-16-10-22-11-17(21)15(16)9-25-18-4-3-12(7-24-18)6-13-8-26-19-14(13)2-1-5-23-19/h1-5,7-8,10-11H,6,9H2,(H,23,26)(H,24,25)
InChIKeyCZDACHSVSVOENP-UHFFFAOYSA-N
XLogP4.86
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.27
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dichloro-4-pyridinyl)methyl]-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyridin-2-amine?
The IUPAC name of N-[(3,5-dichloro-4-pyridinyl)methyl]-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyridin-2-amine (CID 24955368) is N-[(3,5-dichloro-4-pyridinyl)methyl]-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyridin-2-amine.
What is the SMILES notation for N-[(3,5-dichloro-4-pyridinyl)methyl]-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyridin-2-amine?
The canonical SMILES for N-[(3,5-dichloro-4-pyridinyl)methyl]-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyridin-2-amine is Clc1cncc(Cl)c1CNc1ccc(Cc2c[nH]c3ncccc23)cn1.
What is the InChIKey of N-[(3,5-dichloro-4-pyridinyl)methyl]-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyridin-2-amine?
The InChIKey is CZDACHSVSVOENP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15Cl2N5/c20-16-10-22-11-17(21)15(16)9-25-18-4-3-12(7-24-18)6-13-8-26-19-14(13)2-1-5-23-19/h1-5,7-8,10-11H,6,9H2,(H,23,26)(H,24,25).
What are the key properties of N-[(3,5-dichloro-4-pyridinyl)methyl]-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyridin-2-amine?
N-[(3,5-dichloro-4-pyridinyl)methyl]-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyridin-2-amine has a molecular weight of 384.27 g/mol, XLogP of 4.86, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dichloro-4-pyridinyl)methyl]-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyridin-2-amine is sourced from PubChem (CID 24955368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).