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

C19H16ClN5 — CID 25151532

IUPACN-[(3-chloro-4-pyridinyl)methyl]-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyridin-2-amine
SMILESClc1cnccc1CNc1ccc(Cc2c[nH]c3ncccc23)cn1
InChIInChI=1S/C19H16ClN5/c20-17-12-21-7-5-14(17)10-24-18-4-3-13(9-23-18)8-15-11-25-19-16(15)2-1-6-22-19/h1-7,9,11-12H,8,10H2,(H,22,25)(H,23,24)
InChIKeyLKGOHMVPSUKYRN-UHFFFAOYSA-N
MW349.83 g/mol
LogP4.21
Rot. Bonds5

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

N-[(3-chloro-4-pyridinyl)methyl]-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyridin-2-amine (PubChem CID 25151532) has the molecular formula C19H16ClN5 and a molecular weight of 349.83 g/mol. Its IUPAC name is N-[(3-chloro-4-pyridinyl)methyl]-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-[(3-chloro-4-pyridinyl)methyl]-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyridin-2-amine
PubChem CID25151532
Molecular FormulaC19H16ClN5
Molecular Weight349.83 g/mol
Exact Mass349.11
IUPAC NameN-[(3-chloro-4-pyridinyl)methyl]-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyridin-2-amine
SMILESClc1cnccc1CNc1ccc(Cc2c[nH]c3ncccc23)cn1
InChIInChI=1S/C19H16ClN5/c20-17-12-21-7-5-14(17)10-24-18-4-3-13(9-23-18)8-15-11-25-19-16(15)2-1-6-22-19/h1-7,9,11-12H,8,10H2,(H,22,25)(H,23,24)
InChIKeyLKGOHMVPSUKYRN-UHFFFAOYSA-N
XLogP4.21
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.83
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-4-pyridinyl)methyl]-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyridin-2-amine?
The IUPAC name of N-[(3-chloro-4-pyridinyl)methyl]-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyridin-2-amine (CID 25151532) is N-[(3-chloro-4-pyridinyl)methyl]-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyridin-2-amine.
What is the SMILES notation for N-[(3-chloro-4-pyridinyl)methyl]-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyridin-2-amine?
The canonical SMILES for N-[(3-chloro-4-pyridinyl)methyl]-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyridin-2-amine is Clc1cnccc1CNc1ccc(Cc2c[nH]c3ncccc23)cn1.
What is the InChIKey of N-[(3-chloro-4-pyridinyl)methyl]-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyridin-2-amine?
The InChIKey is LKGOHMVPSUKYRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN5/c20-17-12-21-7-5-14(17)10-24-18-4-3-13(9-23-18)8-15-11-25-19-16(15)2-1-6-22-19/h1-7,9,11-12H,8,10H2,(H,22,25)(H,23,24).
What are the key properties of N-[(3-chloro-4-pyridinyl)methyl]-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyridin-2-amine?
N-[(3-chloro-4-pyridinyl)methyl]-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyridin-2-amine has a molecular weight of 349.83 g/mol, XLogP of 4.21, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-4-pyridinyl)methyl]-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyridin-2-amine is sourced from PubChem (CID 25151532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).