3-chloro-5-[3-[2-(pteridin-4-ylamino)ethyl]phenoxy]pyridine-4-carbonitrile

C20H14ClN7O — CID 58174231

IUPAC3-chloro-5-[3-[2-(pteridin-4-ylamino)ethyl]phenoxy]pyridine-4-carbonitrile
SMILESN#Cc1c(Cl)cncc1Oc1cccc(CCNc2ncnc3nccnc23)c1
InChIInChI=1S/C20H14ClN7O/c21-16-10-23-11-17(15(16)9-22)29-14-3-1-2-13(8-14)4-5-25-19-18-20(28-12-27-19)26-7-6-24-18/h1-3,6-8,10-12H,4-5H2,(H,25,26,27,28)
InChIKeyRZKSRGHATHGJLV-UHFFFAOYSA-N
MW403.83 g/mol
LogP3.79
Rot. Bonds6

About 3-chloro-5-[3-[2-(pteridin-4-ylamino)ethyl]phenoxy]pyridine-4-carbonitrile

3-chloro-5-[3-[2-(pteridin-4-ylamino)ethyl]phenoxy]pyridine-4-carbonitrile (PubChem CID 58174231) has the molecular formula C20H14ClN7O and a molecular weight of 403.83 g/mol. Its IUPAC name is 3-chloro-5-[3-[2-(pteridin-4-ylamino)ethyl]phenoxy]pyridine-4-carbonitrile.

Molecular Properties

Compound Name3-chloro-5-[3-[2-(pteridin-4-ylamino)ethyl]phenoxy]pyridine-4-carbonitrile
PubChem CID58174231
Molecular FormulaC20H14ClN7O
Molecular Weight403.83 g/mol
Exact Mass403.09
IUPAC Name3-chloro-5-[3-[2-(pteridin-4-ylamino)ethyl]phenoxy]pyridine-4-carbonitrile
SMILESN#Cc1c(Cl)cncc1Oc1cccc(CCNc2ncnc3nccnc23)c1
InChIInChI=1S/C20H14ClN7O/c21-16-10-23-11-17(15(16)9-22)29-14-3-1-2-13(8-14)4-5-25-19-18-20(28-12-27-19)26-7-6-24-18/h1-3,6-8,10-12H,4-5H2,(H,25,26,27,28)
InChIKeyRZKSRGHATHGJLV-UHFFFAOYSA-N
XLogP3.79
TPSA109.50 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.83
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

3-chloro-5-[4-[2-[(6-chloropteridin-4-yl)amino]ethyl]phenoxy]pyridine-4-carbonitrile
CID 58174165
N-[2-[3-[(4-iodo-2-pyridinyl)oxy]phenyl]ethyl]pteridin-4-amine
CID 58174149
N-[2-(3-bromo-4-methoxyphenyl)ethyl]pteridin-4-amine
CID 58174262
N-[2-(4-methoxyphenyl)ethyl]pteridin-4-amine
CID 58174186
N-[2-[4-[(6-fluoro-2-pyridinyl)oxy]phenyl]ethyl]pteridin-4-amine
CID 58174220
N-[2-(4-phenylphenyl)ethyl]pteridin-4-amine
CID 58174286
N-[2-[4-[(3,5,6-trifluoro-2-pyridinyl)oxy]phenyl]ethyl]pteridin-4-amine
CID 58174056
2-methyl-4-[2-(pteridin-4-ylamino)ethyl]phenol
CID 58174107
N-[2-[4-[[2-chloro-4-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]ethyl]pteridin-4-amine
CID 58174236
N-[2-[4-[2-(4-phenylmethoxyphenyl)ethoxy]phenyl]ethyl]pteridin-4-amine;4-[2-(pteridin-4-ylamino)ethyl]phenol
CID 161366630
4-N-[2-[3-(pyrazin-2-ylmethoxy)phenyl]ethyl]quinazoline-4,6-diamine
CID 139981850
N-[2-[4-[[4-(1,1-difluoroethyl)-6-methoxy-2-pyridinyl]oxy]phenyl]ethyl]pteridin-4-amine
CID 51000642

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-[3-[2-(pteridin-4-ylamino)ethyl]phenoxy]pyridine-4-carbonitrile?
The IUPAC name of 3-chloro-5-[3-[2-(pteridin-4-ylamino)ethyl]phenoxy]pyridine-4-carbonitrile (CID 58174231) is 3-chloro-5-[3-[2-(pteridin-4-ylamino)ethyl]phenoxy]pyridine-4-carbonitrile.
What is the SMILES notation for 3-chloro-5-[3-[2-(pteridin-4-ylamino)ethyl]phenoxy]pyridine-4-carbonitrile?
The canonical SMILES for 3-chloro-5-[3-[2-(pteridin-4-ylamino)ethyl]phenoxy]pyridine-4-carbonitrile is N#Cc1c(Cl)cncc1Oc1cccc(CCNc2ncnc3nccnc23)c1.
What is the InChIKey of 3-chloro-5-[3-[2-(pteridin-4-ylamino)ethyl]phenoxy]pyridine-4-carbonitrile?
The InChIKey is RZKSRGHATHGJLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClN7O/c21-16-10-23-11-17(15(16)9-22)29-14-3-1-2-13(8-14)4-5-25-19-18-20(28-12-27-19)26-7-6-24-18/h1-3,6-8,10-12H,4-5H2,(H,25,26,27,28).
What are the key properties of 3-chloro-5-[3-[2-(pteridin-4-ylamino)ethyl]phenoxy]pyridine-4-carbonitrile?
3-chloro-5-[3-[2-(pteridin-4-ylamino)ethyl]phenoxy]pyridine-4-carbonitrile has a molecular weight of 403.83 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-[3-[2-(pteridin-4-ylamino)ethyl]phenoxy]pyridine-4-carbonitrile is sourced from PubChem (CID 58174231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).