N-[2-(1-methylpyrrolidin-2-yl)ethyl]-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide

C24H27N5O2 — CID 59374208

IUPACN-[2-(1-methylpyrrolidin-2-yl)ethyl]-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide
SMILESCN1CCCC1CCNC(=O)c1cccnc1Oc1ccc(Nc2ccccn2)cc1
InChIInChI=1S/C24H27N5O2/c1-29-17-5-6-19(29)13-16-26-23(30)21-7-4-15-27-24(21)31-20-11-9-18(10-12-20)28-22-8-2-3-14-25-22/h2-4,7-12,14-15,19H,5-6,13,16-17H2,1H3,(H,25,28)(H,26,30)
InChIKeyKSNJNJAIHVDJGD-UHFFFAOYSA-N
MW417.51 g/mol
LogP4.23
Rot. Bonds8

About N-[2-(1-methylpyrrolidin-2-yl)ethyl]-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide

N-[2-(1-methylpyrrolidin-2-yl)ethyl]-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide (PubChem CID 59374208) has the molecular formula C24H27N5O2 and a molecular weight of 417.51 g/mol. Its IUPAC name is N-[2-(1-methylpyrrolidin-2-yl)ethyl]-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(1-methylpyrrolidin-2-yl)ethyl]-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide
PubChem CID59374208
Molecular FormulaC24H27N5O2
Molecular Weight417.51 g/mol
Exact Mass417.22
IUPAC NameN-[2-(1-methylpyrrolidin-2-yl)ethyl]-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide
SMILESCN1CCCC1CCNC(=O)c1cccnc1Oc1ccc(Nc2ccccn2)cc1
InChIInChI=1S/C24H27N5O2/c1-29-17-5-6-19(29)13-16-26-23(30)21-7-4-15-27-24(21)31-20-11-9-18(10-12-20)28-22-8-2-3-14-25-22/h2-4,7-12,14-15,19H,5-6,13,16-17H2,1H3,(H,25,28)(H,26,30)
InChIKeyKSNJNJAIHVDJGD-UHFFFAOYSA-N
XLogP4.23
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1-methylpyrrolidin-2-yl)ethyl]-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide?
The IUPAC name of N-[2-(1-methylpyrrolidin-2-yl)ethyl]-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide (CID 59374208) is N-[2-(1-methylpyrrolidin-2-yl)ethyl]-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-(1-methylpyrrolidin-2-yl)ethyl]-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide?
The canonical SMILES for N-[2-(1-methylpyrrolidin-2-yl)ethyl]-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide is CN1CCCC1CCNC(=O)c1cccnc1Oc1ccc(Nc2ccccn2)cc1.
What is the InChIKey of N-[2-(1-methylpyrrolidin-2-yl)ethyl]-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide?
The InChIKey is KSNJNJAIHVDJGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O2/c1-29-17-5-6-19(29)13-16-26-23(30)21-7-4-15-27-24(21)31-20-11-9-18(10-12-20)28-22-8-2-3-14-25-22/h2-4,7-12,14-15,19H,5-6,13,16-17H2,1H3,(H,25,28)(H,26,30).
What are the key properties of N-[2-(1-methylpyrrolidin-2-yl)ethyl]-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide?
N-[2-(1-methylpyrrolidin-2-yl)ethyl]-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide has a molecular weight of 417.51 g/mol, XLogP of 4.23, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-methylpyrrolidin-2-yl)ethyl]-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide is sourced from PubChem (CID 59374208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).