N-[2-(2-methyl-1,2-dihydropyridin-6-yl)ethyl]-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide

C25H25N5O2 — CID 70875279

IUPACN-[2-(2-methyl-1,2-dihydropyridin-6-yl)ethyl]-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide
SMILESCC1C=CC=C(CCNC(=O)c2cccnc2Oc2ccc(Nc3ccccn3)cc2)N1
InChIInChI=1S/C25H25N5O2/c1-18-6-4-7-19(29-18)14-17-27-24(31)22-8-5-16-28-25(22)32-21-12-10-20(11-13-21)30-23-9-2-3-15-26-23/h2-13,15-16,18,29H,14,17H2,1H3,(H,26,30)(H,27,31)
InChIKeyBHIKWISDSXVCII-UHFFFAOYSA-N
MW427.51 g/mol
LogP4.56
Rot. Bonds8

About N-[2-(2-methyl-1,2-dihydropyridin-6-yl)ethyl]-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide

N-[2-(2-methyl-1,2-dihydropyridin-6-yl)ethyl]-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide (PubChem CID 70875279) has the molecular formula C25H25N5O2 and a molecular weight of 427.51 g/mol. Its IUPAC name is N-[2-(2-methyl-1,2-dihydropyridin-6-yl)ethyl]-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(2-methyl-1,2-dihydropyridin-6-yl)ethyl]-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide
PubChem CID70875279
Molecular FormulaC25H25N5O2
Molecular Weight427.51 g/mol
Exact Mass427.20
IUPAC NameN-[2-(2-methyl-1,2-dihydropyridin-6-yl)ethyl]-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide
SMILESCC1C=CC=C(CCNC(=O)c2cccnc2Oc2ccc(Nc3ccccn3)cc2)N1
InChIInChI=1S/C25H25N5O2/c1-18-6-4-7-19(29-18)14-17-27-24(31)22-8-5-16-28-25(22)32-21-12-10-20(11-13-21)30-23-9-2-3-15-26-23/h2-13,15-16,18,29H,14,17H2,1H3,(H,26,30)(H,27,31)
InChIKeyBHIKWISDSXVCII-UHFFFAOYSA-N
XLogP4.56
TPSA88.17 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.51
LogP ≤ 54.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-hydroxyethyl)-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide
CID 59374271
N-(2-methylpropyl)-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide
CID 59374131
N-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide
CID 59373973
N-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide
CID 59373977
2-[4-(pyridin-2-ylamino)phenoxy]-N-[[6-(trifluoromethyl)-1,2-dihydropyridin-3-yl]methyl]pyridine-3-carboxamide
CID 70875244
N-methyl-N-prop-2-enyl-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide
CID 59374190
N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide
CID 59374044
2-(4-anilinophenoxy)pyridine-3-carboxylic acid;N-(2-methylpropyl)-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide;1-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]ethanone
CID 158403273
N-[(1S,2S)-2-phenylmethoxycyclopentyl]-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide
CID 68606892
N-(3-methylbutyl)-2-phenoxypyridine-3-carboxamide
CID 24512570
N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-2-phenoxypyridine-3-carboxamide
CID 55723951
1-[3-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]piperidin-1-yl]ethanone
CID 59373992

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methyl-1,2-dihydropyridin-6-yl)ethyl]-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide?
The IUPAC name of N-[2-(2-methyl-1,2-dihydropyridin-6-yl)ethyl]-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide (CID 70875279) is N-[2-(2-methyl-1,2-dihydropyridin-6-yl)ethyl]-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-(2-methyl-1,2-dihydropyridin-6-yl)ethyl]-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide?
The canonical SMILES for N-[2-(2-methyl-1,2-dihydropyridin-6-yl)ethyl]-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide is CC1C=CC=C(CCNC(=O)c2cccnc2Oc2ccc(Nc3ccccn3)cc2)N1.
What is the InChIKey of N-[2-(2-methyl-1,2-dihydropyridin-6-yl)ethyl]-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide?
The InChIKey is BHIKWISDSXVCII-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O2/c1-18-6-4-7-19(29-18)14-17-27-24(31)22-8-5-16-28-25(22)32-21-12-10-20(11-13-21)30-23-9-2-3-15-26-23/h2-13,15-16,18,29H,14,17H2,1H3,(H,26,30)(H,27,31).
What are the key properties of N-[2-(2-methyl-1,2-dihydropyridin-6-yl)ethyl]-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide?
N-[2-(2-methyl-1,2-dihydropyridin-6-yl)ethyl]-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide has a molecular weight of 427.51 g/mol, XLogP of 4.56, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methyl-1,2-dihydropyridin-6-yl)ethyl]-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide is sourced from PubChem (CID 70875279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).